2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide

C16H15N3OS — CID 65349067

IUPAC2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-10-3-6-12(7-4-10)19(2)15(20)11-5-8-13-14(9-11)21-16(17)18-13/h3-9H,1-2H3,(H2,17,18)
InChIKeyMGKOKQKCDRZWTD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.46
Rot. Bonds2

About 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349067) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349067
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccc3nc(N)sc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-10-3-6-12(7-4-10)19(2)15(20)11-5-8-13-14(9-11)21-16(17)18-13/h3-9H,1-2H3,(H2,17,18)
InChIKeyMGKOKQKCDRZWTD-UHFFFAOYSA-N
XLogP3.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide (CID 65349067) is 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1ccc(N(C)C(=O)c2ccc3nc(N)sc3c2)cc1.
What is the InChIKey of 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MGKOKQKCDRZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-3-6-12(7-4-10)19(2)15(20)11-5-8-13-14(9-11)21-16(17)18-13/h3-9H,1-2H3,(H2,17,18).
What are the key properties of 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).