3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide

C17H14N4OS2 — CID 1374556

IUPAC3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cnc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)s1
InChIInChI=1S/C17H14N4OS2/c1-8-4-3-5-10-6-11-12(18)14(24-16(11)20-13(8)10)15(22)21-17-19-7-9(2)23-17/h3-7H,18H2,1-2H3,(H,19,21,22)
InChIKeyOUCYYVXNNADKCC-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.36
Rot. Bonds2

About 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide

3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1374556) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1374556
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cnc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)s1
InChIInChI=1S/C17H14N4OS2/c1-8-4-3-5-10-6-11-12(18)14(24-16(11)20-13(8)10)15(22)21-17-19-7-9(2)23-17/h3-7H,18H2,1-2H3,(H,19,21,22)
InChIKeyOUCYYVXNNADKCC-UHFFFAOYSA-N
XLogP4.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide (CID 1374556) is 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide is Cc1cnc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)s1.
What is the InChIKey of 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is OUCYYVXNNADKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-8-4-3-5-10-6-11-12(18)14(24-16(11)20-13(8)10)15(22)21-17-19-7-9(2)23-17/h3-7H,18H2,1-2H3,(H,19,21,22).
What are the key properties of 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1374556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).