2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C13H8FN3OS2 — CID 9043781

IUPAC2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)12-16-10(7-20-12)11(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18)
InChIKeyYLFHFXOROAEKPO-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 9043781) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID9043781
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC Name2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)12-16-10(7-20-12)11(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18)
InChIKeyYLFHFXOROAEKPO-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9046504
N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78824310
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
CID 16950267
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 9043781) is 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nccs1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YLFHFXOROAEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-9-3-1-8(2-4-9)12-16-10(7-20-12)11(18)17-13-15-5-6-19-13/h1-7H,(H,15,17,18).
What are the key properties of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9043781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).