5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C11H17ClN4OS — CID 80625100

IUPAC5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H17ClN4OS/c1-8(7-16-5-3-2-4-6-16)13-9(17)10-14-15-11(12)18-10/h8H,2-7H2,1H3,(H,13,17)
InChIKeyHECZJZGBZRCURF-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.80
Rot. Bonds4

About 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625100) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625100
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC Name5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H17ClN4OS/c1-8(7-16-5-3-2-4-6-16)13-9(17)10-14-15-11(12)18-10/h8H,2-7H2,1H3,(H,13,17)
InChIKeyHECZJZGBZRCURF-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617293
5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617192
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617367
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 114035318
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80625100) is 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CC(CN1CCCCC1)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HECZJZGBZRCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-8(7-16-5-3-2-4-6-16)13-9(17)10-14-15-11(12)18-10/h8H,2-7H2,1H3,(H,13,17).
What are the key properties of 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).