N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide

C17H15FN4OS — CID 44590991

IUPACN-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nscc2NCc2ccncc2)c(F)c1
InChIInChI=1S/C17H15FN4OS/c1-11-2-3-14(13(18)8-11)21-17(23)16-15(10-24-22-16)20-9-12-4-6-19-7-5-12/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyUZURVUGOBZNVIY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide

N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide (PubChem CID 44590991) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
PubChem CID44590991
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nscc2NCc2ccncc2)c(F)c1
InChIInChI=1S/C17H15FN4OS/c1-11-2-3-14(13(18)8-11)21-17(23)16-15(10-24-22-16)20-9-12-4-6-19-7-5-12/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyUZURVUGOBZNVIY-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide (CID 44590991) is N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide is Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The InChIKey is UZURVUGOBZNVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11-2-3-14(13(18)8-11)21-17(23)16-15(10-24-22-16)20-9-12-4-6-19-7-5-12/h2-8,10,20H,9H2,1H3,(H,21,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 44590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).