N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide

C9H12N4OS — CID 60967101

IUPACN-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C9H12N4OS/c1-4-6-7(15-13-12-6)8(14)11-9(2,3)5-10/h4H2,1-3H3,(H,11,14)
InChIKeyBUHYVIHGYGAAHN-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.13
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide

N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 60967101) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID60967101
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C9H12N4OS/c1-4-6-7(15-13-12-6)8(14)11-9(2,3)5-10/h4H2,1-3H3,(H,11,14)
InChIKeyBUHYVIHGYGAAHN-UHFFFAOYSA-N
XLogP1.13
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide (CID 60967101) is N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is BUHYVIHGYGAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-4-6-7(15-13-12-6)8(14)11-9(2,3)5-10/h4H2,1-3H3,(H,11,14).
What are the key properties of N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide?
N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 60967101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).