2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide

C19H14N6OS — CID 86701928

IUPAC2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(CNc2ncc(C(=O)Nc3ccc4nccn4c3)s2)cc1
InChIInChI=1S/C19H14N6OS/c20-9-13-1-3-14(4-2-13)10-22-19-23-11-16(27-19)18(26)24-15-5-6-17-21-7-8-25(17)12-15/h1-8,11-12H,10H2,(H,22,23)(H,24,26)
InChIKeyWMCOMXIYUZWUSQ-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.53
Rot. Bonds5

About 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide

2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide (PubChem CID 86701928) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide
PubChem CID86701928
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(CNc2ncc(C(=O)Nc3ccc4nccn4c3)s2)cc1
InChIInChI=1S/C19H14N6OS/c20-9-13-1-3-14(4-2-13)10-22-19-23-11-16(27-19)18(26)24-15-5-6-17-21-7-8-25(17)12-15/h1-8,11-12H,10H2,(H,22,23)(H,24,26)
InChIKeyWMCOMXIYUZWUSQ-UHFFFAOYSA-N
XLogP3.53
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide (CID 86701928) is 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide is N#Cc1ccc(CNc2ncc(C(=O)Nc3ccc4nccn4c3)s2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WMCOMXIYUZWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c20-9-13-1-3-14(4-2-13)10-22-19-23-11-16(27-19)18(26)24-15-5-6-17-21-7-8-25(17)12-15/h1-8,11-12H,10H2,(H,22,23)(H,24,26).
What are the key properties of 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide?
2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]-N-imidazo[1,2-a]pyridin-6-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86701928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).