2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine

C16H15N3S2 — CID 81267687

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine
SMILESCc1cccc2nc(-c3cc4c(s3)CCSC4)nc(N)c12
InChIInChI=1S/C16H15N3S2/c1-9-3-2-4-11-14(9)15(17)19-16(18-11)13-7-10-8-20-6-5-12(10)21-13/h2-4,7H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyLBPCLORJQVXGAB-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.04
Rot. Bonds1

About 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine

2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine (PubChem CID 81267687) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine
PubChem CID81267687
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine
SMILESCc1cccc2nc(-c3cc4c(s3)CCSC4)nc(N)c12
InChIInChI=1S/C16H15N3S2/c1-9-3-2-4-11-14(9)15(17)19-16(18-11)13-7-10-8-20-6-5-12(10)21-13/h2-4,7H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyLBPCLORJQVXGAB-UHFFFAOYSA-N
XLogP4.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine (CID 81267687) is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine is Cc1cccc2nc(-c3cc4c(s3)CCSC4)nc(N)c12.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine?
The InChIKey is LBPCLORJQVXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-9-3-2-4-11-14(9)15(17)19-16(18-11)13-7-10-8-20-6-5-12(10)21-13/h2-4,7H,5-6,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-methylquinazolin-4-amine is sourced from PubChem (CID 81267687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).