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

C13H13FN4OS — CID 105385572

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2nc(C3CC3)cs2)c1F
InChIInChI=1S/C13H13FN4OS/c1-15-11-10(14)8(4-5-16-11)12(19)18-13-17-9(6-20-13)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18,19)
InChIKeySNJKTYGNWBNIGL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds4

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385572) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385572
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2nc(C3CC3)cs2)c1F
InChIInChI=1S/C13H13FN4OS/c1-15-11-10(14)8(4-5-16-11)12(19)18-13-17-9(6-20-13)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18,19)
InChIKeySNJKTYGNWBNIGL-UHFFFAOYSA-N
XLogP2.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-3-carboxamide
CID 107358656
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62174816
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62174643
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62249664

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105385572) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2nc(C3CC3)cs2)c1F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is SNJKTYGNWBNIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c1-15-11-10(14)8(4-5-16-11)12(19)18-13-17-9(6-20-13)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).