N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide

C14H17N3OS — CID 45145420

IUPACN-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C14H17N3OS/c1-4-9(2)11-7-5-6-8-12(11)15-14(18)13-10(3)16-17-19-13/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZNPAWJYPDDKBJB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.61
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide

N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 45145420) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID45145420
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C14H17N3OS/c1-4-9(2)11-7-5-6-8-12(11)15-14(18)13-10(3)16-17-19-13/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZNPAWJYPDDKBJB-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-butan-2-ylphenyl)-4-methylthiadiazole-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-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide (CID 45145420) is N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide is CCC(C)c1ccccc1NC(=O)c1snnc1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZNPAWJYPDDKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-9(2)11-7-5-6-8-12(11)15-14(18)13-10(3)16-17-19-13/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 45145420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).