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

C17H27N5OS — CID 31039499

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCCCCc1nnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1
InChIInChI=1S/C17H27N5OS/c1-6-7-8-16-19-20-17(24-16)18-15(23)9-14-12(4)21-22(13(14)5)10-11(2)3/h11H,6-10H2,1-5H3,(H,18,20,23)
InChIKeyPPQYIJBFRSUCFN-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.53
Rot. Bonds8

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (PubChem CID 31039499) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
PubChem CID31039499
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCCCCc1nnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1
InChIInChI=1S/C17H27N5OS/c1-6-7-8-16-19-20-17(24-16)18-15(23)9-14-12(4)21-22(13(14)5)10-11(2)3/h11H,6-10H2,1-5H3,(H,18,20,23)
InChIKeyPPQYIJBFRSUCFN-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide 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

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31265452
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43020399
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119667078
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 25481432
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439959
(2S,3S)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119193935
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (CID 31039499) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is CCCCc1nnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The InChIKey is PPQYIJBFRSUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-6-7-8-16-19-20-17(24-16)18-15(23)9-14-12(4)21-22(13(14)5)10-11(2)3/h11H,6-10H2,1-5H3,(H,18,20,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 31039499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).