3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

C15H15FN4O2S — CID 39162541

IUPAC3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCNCC2)cs1)c1cccc(F)c1
InChIInChI=1S/C15H15FN4O2S/c16-11-3-1-2-10(8-11)13(21)19-15-18-12(9-23-15)14(22)20-6-4-17-5-7-20/h1-3,8-9,17H,4-7H2,(H,18,19,21)
InChIKeyMZPRMSQWADGALN-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.58
Rot. Bonds3

About 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 39162541) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID39162541
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCNCC2)cs1)c1cccc(F)c1
InChIInChI=1S/C15H15FN4O2S/c16-11-3-1-2-10(8-11)13(21)19-15-18-12(9-23-15)14(22)20-6-4-17-5-7-20/h1-3,8-9,17H,4-7H2,(H,18,19,21)
InChIKeyMZPRMSQWADGALN-UHFFFAOYSA-N
XLogP1.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46172387
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114124
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
2-[4-(2-acetamido-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 39006102
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 39162541) is 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCNCC2)cs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MZPRMSQWADGALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c16-11-3-1-2-10(8-11)13(21)19-15-18-12(9-23-15)14(22)20-6-4-17-5-7-20/h1-3,8-9,17H,4-7H2,(H,18,19,21).
What are the key properties of 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39162541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).