2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide

C17H17N3OS — CID 110451251

IUPAC2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C17H17N3OS/c1-3-11-6-4-5-10(2)15(11)20-16(21)12-7-8-13-14(9-12)22-17(18)19-13/h4-9H,3H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyDDDMVRAHMJOGPH-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.00
Rot. Bonds3

About 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 110451251) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID110451251
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C17H17N3OS/c1-3-11-6-4-5-10(2)15(11)20-16(21)12-7-8-13-14(9-12)22-17(18)19-13/h4-9H,3H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyDDDMVRAHMJOGPH-UHFFFAOYSA-N
XLogP4.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide (CID 110451251) is 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DDDMVRAHMJOGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-11-6-4-5-10(2)15(11)20-16(21)12-7-8-13-14(9-12)22-17(18)19-13/h4-9H,3H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110451251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).