N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride

C12H21ClN4OS — CID 119279901

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)C2CCCNC2)s1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8;/h8,13H,4-7H2,1-3H3,(H,14,16,17);1H
InChIKeyWHKHJVIROXTPAS-UHFFFAOYSA-N
MW304.85 g/mol
LogP2.20
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119279901) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119279901
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1nnc(NC(=O)C2CCCNC2)s1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8;/h8,13H,4-7H2,1-3H3,(H,14,16,17);1H
InChIKeyWHKHJVIROXTPAS-UHFFFAOYSA-N
XLogP2.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
(3R)-N-(thiatriazol-5-yl)piperidine-3-carboxamide
CID 104982975
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119261708
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119890048
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119279901) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride is CC(C)(C)c1nnc(NC(=O)C2CCCNC2)s1.Cl.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is WHKHJVIROXTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.ClH/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8;/h8,13H,4-7H2,1-3H3,(H,14,16,17);1H.
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119279901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).