4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide

C23H21FN4O4S — CID 16947196

IUPAC4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O4S/c24-15-5-3-14(4-6-15)20(29)26-23-25-19-16(7-8-18(19)33-23)21(30)27-9-11-28(12-10-27)22(31)17-2-1-13-32-17/h1-6,13,16H,7-12H2,(H,25,26,29)
InChIKeyRUXJETNFSDCHSH-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.14
Rot. Bonds4

About 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide

4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide (PubChem CID 16947196) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
PubChem CID16947196
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC Name4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O4S/c24-15-5-3-14(4-6-15)20(29)26-23-25-19-16(7-8-18(19)33-23)21(30)27-9-11-28(12-10-27)22(31)17-2-1-13-32-17/h1-6,13,16H,7-12H2,(H,25,26,29)
InChIKeyRUXJETNFSDCHSH-UHFFFAOYSA-N
XLogP3.14
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16947324
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947312
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947198
N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 16947503
methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
CID 16947024
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 16945861
2-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947230
4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
CID 16947634
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
4-chloro-N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945509
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
methyl 4-[[(4S)-2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]amino]benzoate
CID 40945545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide (CID 16947196) is 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide is O=C(Nc1nc2c(s1)CCC2C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
The InChIKey is RUXJETNFSDCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c24-15-5-3-14(4-6-15)20(29)26-23-25-19-16(7-8-18(19)33-23)21(30)27-9-11-28(12-10-27)22(31)17-2-1-13-32-17/h1-6,13,16H,7-12H2,(H,25,26,29).
What are the key properties of 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide?
4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide is sourced from PubChem (CID 16947196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).