5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide

C9H9ClN4OS — CID 80619442

IUPAC5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H9ClN4OS/c10-9-14-13-8(16-9)7(15)12-6-3-1-2-5(6)4-11/h5-6H,1-3H2,(H,12,15)
InChIKeyRXVISKGMFVXOHL-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.61
Rot. Bonds2

About 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619442) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619442
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H9ClN4OS/c10-9-14-13-8(16-9)7(15)12-6-3-1-2-5(6)4-11/h5-6H,1-3H2,(H,12,15)
InChIKeyRXVISKGMFVXOHL-UHFFFAOYSA-N
XLogP1.61
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 106360530
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide
CID 106993787
5-chloro-N-(2-cyanocyclopentyl)-2-hydroxybenzamide
CID 62961255
6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
CID 62961274
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905
N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79605102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619442) is 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide is N#CC1CCCC1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RXVISKGMFVXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c10-9-14-13-8(16-9)7(15)12-6-3-1-2-5(6)4-11/h5-6H,1-3H2,(H,12,15).
What are the key properties of 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).