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

C12H14N4OS — CID 80618760

IUPAC5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1nnc(N)s1
InChIInChI=1S/C12H14N4OS/c1-7(2)8-5-3-4-6-9(8)14-10(17)11-15-16-12(13)18-11/h3-7H,1-2H3,(H2,13,16)(H,14,17)
InChIKeyQHBLHWNGWUDTJD-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.50
Rot. Bonds3

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

5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618760) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618760
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1nnc(N)s1
InChIInChI=1S/C12H14N4OS/c1-7(2)8-5-3-4-6-9(8)14-10(17)11-15-16-12(13)18-11/h3-7H,1-2H3,(H2,13,16)(H,14,17)
InChIKeyQHBLHWNGWUDTJD-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
N-(2-propan-2-ylphenyl)benzamide
CID 723391
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80618760) is 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)c1ccccc1NC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QHBLHWNGWUDTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7(2)8-5-3-4-6-9(8)14-10(17)11-15-16-12(13)18-11/h3-7H,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).