N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C11H16N4OS — CID 65204514

IUPACN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C#N)C(C)C
InChIInChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16)
InChIKeyGHSRWESYULYKSZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.94
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204514) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204514
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NC(C#N)C(C)C
InChIInChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16)
InChIKeyGHSRWESYULYKSZ-UHFFFAOYSA-N
XLogP1.94
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanopropan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204861
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 79245995
N-(2-cyanoethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204219
(2S,3R)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid
CID 104964709
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
CID 82854225
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
N-(2-cyanobutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204609
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
CID 82725593

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204514) is N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NC(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is GHSRWESYULYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-6(2)8(5-12)13-11(16)10-9(7(3)4)14-15-17-10/h6-8H,1-4H3,(H,13,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).