N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide

C13H15N3OS — CID 848587

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C13H15N3OS/c1-8(2)10-4-6-11(7-5-10)12(17)14-13-16-15-9(3)18-13/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWPINUAOBDGBWMO-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 848587) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID848587
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C13H15N3OS/c1-8(2)10-4-6-11(7-5-10)12(17)14-13-16-15-9(3)18-13/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWPINUAOBDGBWMO-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18275341
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 26175383
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348
1-oxido-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium-4-carboxamide
CID 75363244
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide (CID 848587) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide is Cc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is WPINUAOBDGBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(2)10-4-6-11(7-5-10)12(17)14-13-16-15-9(3)18-13/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 848587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).