5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide

C13H16N4OS — CID 80619012

IUPAC5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2ccccc2C(C)C)s1
InChIInChI=1S/C13H16N4OS/c1-8(2)9-6-4-5-7-10(9)15-11(18)12-16-17-13(14-3)19-12/h4-8H,1-3H3,(H,14,17)(H,15,18)
InChIKeyWNWMDTSVQUSFJX-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.96
Rot. Bonds4

About 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619012) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619012
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2ccccc2C(C)C)s1
InChIInChI=1S/C13H16N4OS/c1-8(2)9-6-4-5-7-10(9)15-11(18)12-16-17-13(14-3)19-12/h4-8H,1-3H3,(H,14,17)(H,15,18)
InChIKeyWNWMDTSVQUSFJX-UHFFFAOYSA-N
XLogP2.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-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

5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618760
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618602
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619012) is 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2ccccc2C(C)C)s1.
What is the InChIKey of 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WNWMDTSVQUSFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(2)9-6-4-5-7-10(9)15-11(18)12-16-17-13(14-3)19-12/h4-8H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).