ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine

C99H134N24OS9 — CID 158499434

About ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine

ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine (PubChem CID 158499434) has the molecular formula C99H134N24OS9 and a molecular weight of 1964.93 g/mol. Its IUPAC name is ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine
• PubChem CID: 158499434
• Molecular Formula: C99H134N24OS9
• Molecular Weight: 1964.93 g/mol
• Exact Mass: 1962.87
• IUPAC Name: ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine
• SMILES: CC.CC.CC.CC.CC.CC.CC.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)cc3c2n1.CCNc1ncc2ccc3sc(C)nc3c2n1
• InChI: InChI=1S/C13H15N3S.C13H13N3S.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);4-7H,3H2,1-2H3,(H,14,15,16);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: HJRZWUQJSBWOEW-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 312.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.93
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine?

The IUPAC name of ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine (CID 158499434) is ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine.

What is the SMILES notation for ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine?

The canonical SMILES for ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine is CC.CC.CC.CC.CC.CC.CC.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)cc3c2n1.CCNc1ncc2ccc3sc(C)nc3c2n1.

What is the InChIKey of ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine?

The InChIKey is HJRZWUQJSBWOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.C13H13N3S.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);4-7H,3H2,1-2H3,(H,14,15,16);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-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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine?

ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine has a molecular weight of 1964.93 g/mol, XLogP of 28.57, 14 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;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;N-ethyl-8-methylthieno[2,3-h]quinazolin-2-amine is sourced from PubChem (CID 158499434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).