3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C13H15FN4OS — CID 105385432

IUPAC3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2nc(C(C)C)cs2)c1F
InChIInChI=1S/C13H15FN4OS/c1-7(2)9-6-20-13(17-9)18-12(19)8-4-5-16-11(15-3)10(8)14/h4-7H,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyWXZKOBHEYFACJC-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.09
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 105385432) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID105385432
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2nc(C(C)C)cs2)c1F
InChIInChI=1S/C13H15FN4OS/c1-7(2)9-6-20-13(17-9)18-12(19)8-4-5-16-11(15-3)10(8)14/h4-7H,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyWXZKOBHEYFACJC-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 105384065
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 105385432) is 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2nc(C(C)C)cs2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is WXZKOBHEYFACJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-7(2)9-6-20-13(17-9)18-12(19)8-4-5-16-11(15-3)10(8)14/h4-7H,1-3H3,(H,15,16)(H,17,18,19).
What are the key properties of 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105385432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).