N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide

C16H9F3N2OS — CID 3524198

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H9F3N2OS/c17-10-3-1-9(2-4-10)15(22)21-16-20-14(8-23-16)12-6-5-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyFCQSGKKSWIGRJU-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.48
Rot. Bonds3

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 3524198) has the molecular formula C16H9F3N2OS and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID3524198
Molecular FormulaC16H9F3N2OS
Molecular Weight334.32 g/mol
Exact Mass334.04
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(F)cc1
InChIInChI=1S/C16H9F3N2OS/c17-10-3-1-9(2-4-10)15(22)21-16-20-14(8-23-16)12-6-5-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyFCQSGKKSWIGRJU-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 167980261
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17404607
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 3524198) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is FCQSGKKSWIGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2OS/c17-10-3-1-9(2-4-10)15(22)21-16-20-14(8-23-16)12-6-5-11(18)7-13(12)19/h1-8H,(H,20,21,22).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 334.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 3524198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).