2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C12H9N5OS2 — CID 146351533

IUPAC2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(-c3csc(N)n3)n2)n1
InChIInChI=1S/C12H9N5OS2/c13-10(18)9-5-19-11(16-9)7-3-1-2-6(15-7)8-4-20-12(14)17-8/h1-5H,(H2,13,18)(H2,14,17)
InChIKeyIDXFOATYFCPBTF-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.01
Rot. Bonds3

About 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 146351533) has the molecular formula C12H9N5OS2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID146351533
Molecular FormulaC12H9N5OS2
Molecular Weight303.37 g/mol
Exact Mass303.02
IUPAC Name2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(-c3csc(N)n3)n2)n1
InChIInChI=1S/C12H9N5OS2/c13-10(18)9-5-19-11(16-9)7-3-1-2-6(15-7)8-4-20-12(14)17-8/h1-5H,(H2,13,18)(H2,14,17)
InChIKeyIDXFOATYFCPBTF-UHFFFAOYSA-N
XLogP2.01
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
CID 18953863
prop-2-enyl 2-(6-amino-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 146351739
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891977
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 67515702
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
CID 10353333
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 146351533) is 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cccc(-c3csc(N)n3)n2)n1.
What is the InChIKey of 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IDXFOATYFCPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS2/c13-10(18)9-5-19-11(16-9)7-3-1-2-6(15-7)8-4-20-12(14)17-8/h1-5H,(H2,13,18)(H2,14,17).
What are the key properties of 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-amino-1,3-thiazol-4-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146351533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).