N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H23N5OS — CID 20885945

IUPACN-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C17H23N5OS/c23-15(18-14-5-1-2-6-14)13-7-11-22(12-8-13)17-20-19-16(24-17)21-9-3-4-10-21/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,18,23)
InChIKeyKBHODHYJIBLSPF-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 20885945) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID20885945
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C17H23N5OS/c23-15(18-14-5-1-2-6-14)13-7-11-22(12-8-13)17-20-19-16(24-17)21-9-3-4-10-21/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,18,23)
InChIKeyKBHODHYJIBLSPF-UHFFFAOYSA-N
XLogP2.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701562
(3R)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701561
N-(3,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 20926345
N-(2,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 20889341
N-[(2-methylphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 46281686
N-[3-(4-propylpiperazin-1-yl)propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 3240892
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937066
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 20889387
N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 166605821
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 20885945) is N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1.
What is the InChIKey of N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is KBHODHYJIBLSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-15(18-14-5-1-2-6-14)13-7-11-22(12-8-13)17-20-19-16(24-17)21-9-3-4-10-21/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,18,23).
What are the key properties of N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20885945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).