4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide

C14H14FN3OS — CID 132648757

IUPAC4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(C2CCCN2)cs1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c15-10-5-3-9(4-6-10)13(19)18-14-17-12(8-20-14)11-2-1-7-16-11/h3-6,8,11,16H,1-2,7H2,(H,17,18,19)
InChIKeyCZCJPIBXGSPXGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.96
Rot. Bonds3

About 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide

4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 132648757) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID132648757
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(C2CCCN2)cs1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c15-10-5-3-9(4-6-10)13(19)18-14-17-12(8-20-14)11-2-1-7-16-11/h3-6,8,11,16H,1-2,7H2,(H,17,18,19)
InChIKeyCZCJPIBXGSPXGT-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
6-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66509656
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
4-[cyclopentyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 18584062
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide (CID 132648757) is 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(C2CCCN2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CZCJPIBXGSPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-10-5-3-9(4-6-10)13(19)18-14-17-12(8-20-14)11-2-1-7-16-11/h3-6,8,11,16H,1-2,7H2,(H,17,18,19).
What are the key properties of 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 132648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).