5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide

C16H11FN6OS — CID 11530468

IUPAC5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncc(C#N)c2)s1
InChIInChI=1S/C16H11FN6OS/c1-9-21-14(15(24)23-13-3-2-11(17)7-20-13)16(25-9)22-12-4-10(5-18)6-19-8-12/h2-4,6-8,22H,1H3,(H,20,23,24)
InChIKeyIDRJXOCJFBZEDE-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.25
Rot. Bonds4

About 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide

5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 11530468) has the molecular formula C16H11FN6OS and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID11530468
Molecular FormulaC16H11FN6OS
Molecular Weight354.37 g/mol
Exact Mass354.07
IUPAC Name5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncc(C#N)c2)s1
InChIInChI=1S/C16H11FN6OS/c1-9-21-14(15(24)23-13-3-2-11(17)7-20-13)16(25-9)22-12-4-10(5-18)6-19-8-12/h2-4,6-8,22H,1H3,(H,20,23,24)
InChIKeyIDRJXOCJFBZEDE-UHFFFAOYSA-N
XLogP3.25
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 11515853
4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
CID 46899182
[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 87441144
N-(5-fluoro-2-pyridinyl)-6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 11996474
5-[(5-chloro-3-pyridinyl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90997485
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553
5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91233130
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91258597
5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 69350584
[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
CID 11560023
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 11530468) is 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncc(C#N)c2)s1.
What is the InChIKey of 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IDRJXOCJFBZEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6OS/c1-9-21-14(15(24)23-13-3-2-11(17)7-20-13)16(25-9)22-12-4-10(5-18)6-19-8-12/h2-4,6-8,22H,1H3,(H,20,23,24).
What are the key properties of 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11530468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).