1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide

C9H13ClN4OS — CID 80611271

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H13ClN4OS/c10-9-13-12-7(16-9)5-14-3-1-2-6(4-14)8(11)15/h6H,1-5H2,(H2,11,15)
InChIKeyBTSXFWLVNGSJSH-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.89
Rot. Bonds3

About 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 80611271) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID80611271
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H13ClN4OS/c10-9-13-12-7(16-9)5-14-3-1-2-6(4-14)8(11)15/h6H,1-5H2,(H2,11,15)
InChIKeyBTSXFWLVNGSJSH-UHFFFAOYSA-N
XLogP0.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115300700
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 80609765
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
1-[[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 170458661
1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 172893555

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide (CID 80611271) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is BTSXFWLVNGSJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c10-9-13-12-7(16-9)5-14-3-1-2-6(4-14)8(11)15/h6H,1-5H2,(H2,11,15).
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 260.75 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 80611271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).