N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide

C16H18N6OS — CID 50961210

IUPACN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCCCC(C)c1nnc(NC(=O)c2ccccc2-n2cncn2)s1
InChIInChI=1S/C16H18N6OS/c1-3-6-11(2)15-20-21-16(24-15)19-14(23)12-7-4-5-8-13(12)22-10-17-9-18-22/h4-5,7-11H,3,6H2,1-2H3,(H,19,21,23)
InChIKeyPGKYRQRLKNFDDJ-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.27
Rot. Bonds6

About N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide

N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 50961210) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID50961210
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCCCC(C)c1nnc(NC(=O)c2ccccc2-n2cncn2)s1
InChIInChI=1S/C16H18N6OS/c1-3-6-11(2)15-20-21-16(24-15)19-14(23)12-7-4-5-8-13(12)22-10-17-9-18-22/h4-5,7-11H,3,6H2,1-2H3,(H,19,21,23)
InChIKeyPGKYRQRLKNFDDJ-UHFFFAOYSA-N
XLogP3.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide 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-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-tetrazol-1-yl-benzamide
CID 652942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(1H-tetrazol-1-yl)benzamide
CID 53367719
3,4-dimethyl-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(1H-tetrazol-1-yl)benzamide
CID 53369747
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(1H-tetrazol-1-yl)benzamide
CID 71707745
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide
CID 2421968
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(1H-tetrazol-1-yl)benzamide
CID 51053036
4-fluoro-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-(1H-tetrazol-1-yl)benzamide
CID 29135334
4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(1H-tetrazol-1-yl)benzamide
CID 29135682
4-(1,2,4-triazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782725
N-[(2Z)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-fluoro-2-(1H-tetrazol-1-yl)benzamide
CID 42534569
5-fluoro-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-(1H-tetrazol-1-yl)benzamide
CID 42581819
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(1H-tetrazol-1-yl)benzamide
CID 42582792

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide (CID 50961210) is N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide is CCCC(C)c1nnc(NC(=O)c2ccccc2-n2cncn2)s1.
What is the InChIKey of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is PGKYRQRLKNFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-3-6-11(2)15-20-21-16(24-15)19-14(23)12-7-4-5-8-13(12)22-10-17-9-18-22/h4-5,7-11H,3,6H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide?
N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 342.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 50961210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).