N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide

C14H12ClN5OS — CID 126828952

IUPACN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nc(-c3ncccc3Cl)ns2)CCCC1
InChIInChI=1S/C14H12ClN5OS/c15-9-4-3-7-17-10(9)11-18-13(22-20-11)19-12(21)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,18,19,20,21)
InChIKeyBUEZUUOBILWDMD-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.28
Rot. Bonds3

About N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide

N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide (PubChem CID 126828952) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide
PubChem CID126828952
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nc(-c3ncccc3Cl)ns2)CCCC1
InChIInChI=1S/C14H12ClN5OS/c15-9-4-3-7-17-10(9)11-18-13(22-20-11)19-12(21)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,18,19,20,21)
InChIKeyBUEZUUOBILWDMD-UHFFFAOYSA-N
XLogP3.28
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-fluoro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
CID 118077508
3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
CID 118077533
4-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
CID 122555349
2-chloro-N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 124189239
N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
CID 135272269
US12331033, Example 61
CID 166581236
[1-[3-(3-Chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 103442646
3-[[3-(5-Chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 106526197
3-[[3-(3-Chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 106527962
[1-[3-(5-Chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433813
4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
CID 115661249
N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-ethylbutanamide
CID 126820399

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide (CID 126828952) is N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)Nc2nc(-c3ncccc3Cl)ns2)CCCC1.
What is the InChIKey of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide?
The InChIKey is BUEZUUOBILWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c15-9-4-3-7-17-10(9)11-18-13(22-20-11)19-12(21)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,18,19,20,21).
What are the key properties of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide?
N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 126828952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).