5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide

C15H13N3OS — CID 141320894

IUPAC5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3)c(N)ccc2s1
InChIInChI=1S/C15H13N3OS/c1-9-17-14-12(20-9)8-7-11(16)13(14)15(19)18-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,18,19)
InChIKeyJAOMDQBSYWYWHO-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

About 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide

5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide (PubChem CID 141320894) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide
PubChem CID141320894
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3)c(N)ccc2s1
InChIInChI=1S/C15H13N3OS/c1-9-17-14-12(20-9)8-7-11(16)13(14)15(19)18-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,18,19)
InChIKeyJAOMDQBSYWYWHO-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286
N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide
CID 122609319
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
N-(3-bromophenyl)-7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2-carboxamide
CID 86263639
2-amino-4,6-dichloro-N-phenylbenzamide
CID 15314627
2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431
5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
CID 162787157
4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
CID 722851

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide (CID 141320894) is 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide is Cc1nc2c(C(=O)Nc3ccccc3)c(N)ccc2s1.
What is the InChIKey of 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide?
The InChIKey is JAOMDQBSYWYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-17-14-12(20-9)8-7-11(16)13(14)15(19)18-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide?
5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 141320894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).