2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H16N4O2S2 — CID 71895788

IUPAC2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc2sc(C(=O)Nc3ncccc3C)cc2s1
InChIInChI=1S/C19H16N4O2S2/c1-11-6-5-9-20-16(11)22-17(24)14-10-15-18(26-14)23-19(27-15)21-12-7-3-4-8-13(12)25-2/h3-10H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyAVPFDJLIOKOASG-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.07
Rot. Bonds5

About 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 71895788) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID71895788
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc2sc(C(=O)Nc3ncccc3C)cc2s1
InChIInChI=1S/C19H16N4O2S2/c1-11-6-5-9-20-16(11)22-17(24)14-10-15-18(26-14)23-19(27-15)21-12-7-3-4-8-13(12)25-2/h3-10H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyAVPFDJLIOKOASG-UHFFFAOYSA-N
XLogP5.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 71895788) is 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccccc1Nc1nc2sc(C(=O)Nc3ncccc3C)cc2s1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is AVPFDJLIOKOASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-11-6-5-9-20-16(11)22-17(24)14-10-15-18(26-14)23-19(27-15)21-12-7-3-4-8-13(12)25-2/h3-10H,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71895788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).