N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide

C9H12N4OS — CID 62866184

IUPACN-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1csnn1
InChIInChI=1S/C9H12N4OS/c1-7(2)13(5-3-4-10)9(14)8-6-15-12-11-8/h6-7H,3,5H2,1-2H3
InChIKeyCSAIPKYTILGUTM-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.30
Rot. Bonds4

About N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide

N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 62866184) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
PubChem CID62866184
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1csnn1
InChIInChI=1S/C9H12N4OS/c1-7(2)13(5-3-4-10)9(14)8-6-15-12-11-8/h6-7H,3,5H2,1-2H3
InChIKeyCSAIPKYTILGUTM-UHFFFAOYSA-N
XLogP1.30
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-cyanoethyl(propan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 54996635
N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103859688
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide
CID 3602511
N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide
CID 65205515
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 55026442
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
4-bromo-N-(2-cyanoethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 54877538
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide (CID 62866184) is N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide is CC(C)N(CCC#N)C(=O)c1csnn1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is CSAIPKYTILGUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7(2)13(5-3-4-10)9(14)8-6-15-12-11-8/h6-7H,3,5H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide?
N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 62866184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).