2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C9H12N4OS — CID 110459577

IUPAC2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CC#N)s1
InChIInChI=1S/C9H12N4OS/c1-6(2)5-8-12-13-9(15-8)11-7(14)3-4-10/h6H,3,5H2,1-2H3,(H,11,13,14)
InChIKeyXABUQQIIUDEMTH-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.59
Rot. Bonds4

About 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110459577) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110459577
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CC#N)s1
InChIInChI=1S/C9H12N4OS/c1-6(2)5-8-12-13-9(15-8)11-7(14)3-4-10/h6H,3,5H2,1-2H3,(H,11,13,14)
InChIKeyXABUQQIIUDEMTH-UHFFFAOYSA-N
XLogP1.59
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119677029
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 18195919
(Z)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 24836004
2-methyl-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106261041
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110459577) is 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)CC#N)s1.
What is the InChIKey of 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is XABUQQIIUDEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6(2)5-8-12-13-9(15-8)11-7(14)3-4-10/h6H,3,5H2,1-2H3,(H,11,13,14).
What are the key properties of 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 224.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110459577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).