4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C13H13FN2OS — CID 55163854

IUPAC4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2cscn2)ccc1F
InChIInChI=1S/C13H13FN2OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6H2,1-2H3
InChIKeyUCOGYNFGDKKFLB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide

4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 55163854) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID55163854
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2cscn2)ccc1F
InChIInChI=1S/C13H13FN2OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6H2,1-2H3
InChIKeyUCOGYNFGDKKFLB-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 55163854) is 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is Cc1cc(C(=O)N(C)Cc2cscn2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is UCOGYNFGDKKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 55163854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).