N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C16H15N5O2S — CID 11508375

IUPACN-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1
InChIInChI=1S/C16H15N5O2S/c1-10-18-14(16(24-10)20-11-5-3-7-17-8-11)15(23)21-13-6-2-4-12(9-22)19-13/h2-8,20,22H,9H2,1H3,(H,19,21,23)
InChIKeyRMBCFIFYALRQKK-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.73
Rot. Bonds5

About N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11508375) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11508375
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1
InChIInChI=1S/C16H15N5O2S/c1-10-18-14(16(24-10)20-11-5-3-7-17-8-11)15(23)21-13-6-2-4-12(9-22)19-13/h2-8,20,22H,9H2,1H3,(H,19,21,23)
InChIKeyRMBCFIFYALRQKK-UHFFFAOYSA-N
XLogP2.73
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11515445
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11595030
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11667061
N-(5-hydroxy-6-methyl-2-pyridinyl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11709877
2-(2-{[6-(hydroxymethyl)pyridin-2-yl]amino}-1,3-thiazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 165665550
2-[(3R)-3-acetamidopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 76282788
2-Methyl-5-(2-methyl-pyridin-3-ylamino)-thiazole-4-carboxylic acid (5-fluoro-pyridin-2-yl)-amide
CID 11493914
5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxamide
CID 11501472
N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11551896
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrazin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 11580747
N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11580966

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 11508375) is N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1.
What is the InChIKey of N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is RMBCFIFYALRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-18-14(16(24-10)20-11-5-3-7-17-8-11)15(23)21-13-6-2-4-12(9-22)19-13/h2-8,20,22H,9H2,1H3,(H,19,21,23).
What are the key properties of N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxymethyl)-2-pyridinyl]-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11508375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).