ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine

C99H136N24OS9 — CID 158757200

About ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine

ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine (PubChem CID 158757200) has the molecular formula C99H136N24OS9 and a molecular weight of 1966.95 g/mol. Its IUPAC name is ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine.

Molecular Properties

• Compound Name: ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine
• PubChem CID: 158757200
• Molecular Formula: C99H136N24OS9
• Molecular Weight: 1966.95 g/mol
• Exact Mass: 1964.88
• IUPAC Name: ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC/N=C1\N=CC2C=Cc3sc(C)cc3C2N1.CCNc1ncc2c(n1)-c1cc(C)sc1CC2.CCNc1ncc2c(n1)-c1cc(C)sc1CO2.CCNc1ncc2c(n1)-c1cc(C)sc1CS2.CCNc1ncc2c(n1)-c1nc(C)sc1CC2.CCNc1ncc2c(n1)-c1nc(C)sc1CS2.CCNc1ncc2ccc3sc(C)nc3c2n1
• InChI: InChI=1S/2C13H15N3S.C12H14N4S.C12H12N4S.C12H13N3OS.C12H13N3S2.C11H12N4S2.7C2H6/c2*1-3-14-13-15-7-9-4-5-11-10(12(9)16-13)6-8(2)17-11;2*1-3-13-12-14-6-8-4-5-9-11(10(8)16-12)15-7(2)17-9;2*1-3-13-12-14-5-9-11(15-12)8-4-7(2)17-10(8)6-16-9;1-3-12-11-13-4-7-9(15-11)10-8(5-16-7)17-6(2)14-10;7*1-2/h6-7H,3-5H2,1-2H3,(H,14,15,16);4-7,9,12H,3H2,1-2H3,(H,14,16);6H,3-5H2,1-2H3,(H,13,14,16);4-6H,3H2,1-2H3,(H,13,14,16);2*4-5H,3,6H2,1-2H3,(H,13,14,15);4H,3,5H2,1-2H3,(H,12,13,15);7*1-2H3
• InChIKey: IOFIFVMIACLHJW-UHFFFAOYSA-N
• XLogP: 27.77
• TPSA: 311.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.95
LogP ≤ 5	27.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine?

The IUPAC name of ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine (CID 158757200) is ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine.

What is the SMILES notation for ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine?

The canonical SMILES for ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine is CC.CC.CC.CC.CC.CC.CC.CC/N=C1\N=CC2C=Cc3sc(C)cc3C2N1.CCNc1ncc2c(n1)-c1cc(C)sc1CC2.CCNc1ncc2c(n1)-c1cc(C)sc1CO2.CCNc1ncc2c(n1)-c1cc(C)sc1CS2.CCNc1ncc2c(n1)-c1nc(C)sc1CC2.CCNc1ncc2c(n1)-c1nc(C)sc1CS2.CCNc1ncc2ccc3sc(C)nc3c2n1.

What is the InChIKey of ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine?

The InChIKey is IOFIFVMIACLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N3S.C12H14N4S.C12H12N4S.C12H13N3OS.C12H13N3S2.C11H12N4S2.7C2H6/c2*1-3-14-13-15-7-9-4-5-11-10(12(9)16-13)6-8(2)17-11;2*1-3-13-12-14-6-8-4-5-9-11(10(8)16-12)15-7(2)17-9;2*1-3-13-12-14-5-9-11(15-12)8-4-7(2)17-10(8)6-16-9;1-3-12-11-13-4-7-9(15-11)10-8(5-16-7)17-6(2)14-10;7*1-2/h6-7H,3-5H2,1-2H3,(H,14,15,16);4-7,9,12H,3H2,1-2H3,(H,14,16);6H,3-5H2,1-2H3,(H,13,14,16);4-6H,3H2,1-2H3,(H,13,14,16);2*4-5H,3,6H2,1-2H3,(H,13,14,15);4H,3,5H2,1-2H3,(H,12,13,15);7*1-2H3.

What are the key properties of ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine?

ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine has a molecular weight of 1966.95 g/mol, XLogP of 27.77, 13 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethyl-8-methyl-4a,9b-dihydro-1H-thieno[2,3-h]quinazolin-2-imine;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-amine;N-ethyl-8-methyl-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;N-ethyl-4-methyl-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-4-methyl-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N-ethyl-2-methyl-[1,3]thiazolo[5,4-h]quinazolin-8-amine is sourced from PubChem (CID 158757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).