2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid

C15H18N2O3S — CID 82548346

IUPAC2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc2nc(NC3CCCCC3)sc2cc1C(=O)O
InChIInChI=1S/C15H18N2O3S/c1-20-12-8-11-13(7-10(12)14(18)19)21-15(17-11)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOHJVREHWKXECDR-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.75
Rot. Bonds4

About 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid

2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid (PubChem CID 82548346) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
PubChem CID82548346
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc2nc(NC3CCCCC3)sc2cc1C(=O)O
InChIInChI=1S/C15H18N2O3S/c1-20-12-8-11-13(7-10(12)14(18)19)21-15(17-11)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOHJVREHWKXECDR-UHFFFAOYSA-N
XLogP3.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548345
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
5-methoxy-2-(prop-2-enoxycarbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 167718002
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate
CID 142483469
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid (CID 82548346) is 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid is COc1cc2nc(NC3CCCCC3)sc2cc1C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is OHJVREHWKXECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-20-12-8-11-13(7-10(12)14(18)19)21-15(17-11)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 82548346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).