N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C15H17ClN6O2S — CID 120920278

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2ccco2)s1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H16N6O2S.ClH/c22-13(15(4-7-16-8-5-15)21-9-2-6-17-21)18-14-20-19-12(24-14)11-3-1-10-23-11;/h1-3,6,9-10,16H,4-5,7-8H2,(H,18,20,22);1H
InChIKeyJPGOVMJFAGASIB-UHFFFAOYSA-N
MW380.86 g/mol
LogP2.13
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120920278) has the molecular formula C15H17ClN6O2S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120920278
Molecular FormulaC15H17ClN6O2S
Molecular Weight380.86 g/mol
Exact Mass380.08
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2ccco2)s1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H16N6O2S.ClH/c22-13(15(4-7-16-8-5-15)21-9-2-6-17-21)18-14-20-19-12(24-14)11-3-1-10-23-11;/h1-3,6,9-10,16H,4-5,7-8H2,(H,18,20,22);1H
InChIKeyJPGOVMJFAGASIB-UHFFFAOYSA-N
XLogP2.13
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]propanoate;hydrochloride
CID 120933901
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924970
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930905
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924487
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919360
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922512
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120920278) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(-c2ccco2)s1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is JPGOVMJFAGASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S.ClH/c22-13(15(4-7-16-8-5-15)21-9-2-6-17-21)18-14-20-19-12(24-14)11-3-1-10-23-11;/h1-3,6,9-10,16H,4-5,7-8H2,(H,18,20,22);1H.
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 380.86 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).