2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide

C16H12FN3OS — CID 42537829

IUPAC2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1C(=O)Nc1ccncc1
InChIInChI=1S/C16H12FN3OS/c1-10-14(15(21)20-11-6-8-18-9-7-11)22-16(19-10)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,18,20,21)
InChIKeyARRFTJKXGYAXPQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.90
Rot. Bonds3

About 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 42537829) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID42537829
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1C(=O)Nc1ccncc1
InChIInChI=1S/C16H12FN3OS/c1-10-14(15(21)20-11-6-8-18-9-7-11)22-16(19-10)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,18,20,21)
InChIKeyARRFTJKXGYAXPQ-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 56762857
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
4-methyl-N-phenyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 166359838
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 42537829) is 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ARRFTJKXGYAXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c1-10-14(15(21)20-11-6-8-18-9-7-11)22-16(19-10)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,18,20,21).
What are the key properties of 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42537829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).