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

C15H23ClN6OS — CID 120934852

IUPACN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1nnc(CNC(=O)C2(n3cccn3)CCNCC2)s1.Cl
InChIInChI=1S/C15H22N6OS.ClH/c1-11(2)13-20-19-12(23-13)10-17-14(22)15(4-7-16-8-5-15)21-9-3-6-18-21;/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,17,22);1H
InChIKeyFXWSWQSDOBAGCI-UHFFFAOYSA-N
MW370.91 g/mol
LogP1.67
Rot. Bonds5

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

N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120934852) has the molecular formula C15H23ClN6OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120934852
Molecular FormulaC15H23ClN6OS
Molecular Weight370.91 g/mol
Exact Mass370.13
IUPAC NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1nnc(CNC(=O)C2(n3cccn3)CCNCC2)s1.Cl
InChIInChI=1S/C15H22N6OS.ClH/c1-11(2)13-20-19-12(23-13)10-17-14(22)15(4-7-16-8-5-15)21-9-3-6-18-21;/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,17,22);1H
InChIKeyFXWSWQSDOBAGCI-UHFFFAOYSA-N
XLogP1.67
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941211
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
methyl 3-[5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]propanoate;hydrochloride
CID 120933901
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120933221
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938055

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120934852) is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(C)c1nnc(CNC(=O)C2(n3cccn3)CCNCC2)s1.Cl.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FXWSWQSDOBAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS.ClH/c1-11(2)13-20-19-12(23-13)10-17-14(22)15(4-7-16-8-5-15)21-9-3-6-18-21;/h3,6,9,11,16H,4-5,7-8,10H2,1-2H3,(H,17,22);1H.
What are the key properties of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).