N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

C13H16N4OS — CID 82176766

IUPACN-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(C(C)(C)N)s1
InChIInChI=1S/C13H16N4OS/c1-8-6-4-5-7-9(8)10(18)15-12-17-16-11(19-12)13(2,3)14/h4-7H,14H2,1-3H3,(H,15,17,18)
InChIKeyFZMGHCIETZDHIS-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.29
Rot. Bonds3

About N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (PubChem CID 82176766) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
PubChem CID82176766
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(C(C)(C)N)s1
InChIInChI=1S/C13H16N4OS/c1-8-6-4-5-7-9(8)10(18)15-12-17-16-11(19-12)13(2,3)14/h4-7H,14H2,1-3H3,(H,15,17,18)
InChIKeyFZMGHCIETZDHIS-UHFFFAOYSA-N
XLogP2.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazole-2-sulfonyl chloride
CID 100587660
N-[5-(benzylideneamino)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 3433323
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55908575
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310510
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 79513455
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
N-[5-[(3,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100660058
2-methyl-N-[5-(2-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 133218755

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The IUPAC name of N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (CID 82176766) is N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nnc(C(C)(C)N)s1.
What is the InChIKey of N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The InChIKey is FZMGHCIETZDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-6-4-5-7-9(8)10(18)15-12-17-16-11(19-12)13(2,3)14/h4-7H,14H2,1-3H3,(H,15,17,18).
What are the key properties of N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide has a molecular weight of 276.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 82176766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).