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

C8H13ClN4OS — CID 119261708

IUPACN-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nncs1)C1CCCNC1
InChIInChI=1S/C8H12N4OS.ClH/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8;/h5-6,9H,1-4H2,(H,11,12,13);1H
InChIKeyVQUMHDZSUMTLLI-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.90
Rot. Bonds2

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

N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119261708) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119261708
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC NameN-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nncs1)C1CCCNC1
InChIInChI=1S/C8H12N4OS.ClH/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8;/h5-6,9H,1-4H2,(H,11,12,13);1H
InChIKeyVQUMHDZSUMTLLI-UHFFFAOYSA-N
XLogP0.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(thiatriazol-5-yl)piperidine-3-carboxamide
CID 104982975
2-piperidin-3-yl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 62674692
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
(3S)-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 81139342
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119282743
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119261708) is N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nncs1)C1CCCNC1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is VQUMHDZSUMTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8;/h5-6,9H,1-4H2,(H,11,12,13);1H.
What are the key properties of N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride?
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119261708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).