N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C19H23FN4OS — CID 71840321

IUPACN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4OS/c20-15-7-3-4-8-17(15)23-9-11-24(12-10-23)19-22-16(13-26-19)18(25)21-14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,25)
InChIKeyJODUGXUFQARBHB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.28
Rot. Bonds4

About N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71840321) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71840321
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC NameN-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4OS/c20-15-7-3-4-8-17(15)23-9-11-24(12-10-23)19-22-16(13-26-19)18(25)21-14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,25)
InChIKeyJODUGXUFQARBHB-UHFFFAOYSA-N
XLogP3.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 71840321) is N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JODUGXUFQARBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c20-15-7-3-4-8-17(15)23-9-11-24(12-10-23)19-22-16(13-26-19)18(25)21-14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,25).
What are the key properties of N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).