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

C14H16N2O3S — CID 82548345

IUPAC2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc2nc(NC3CCCC3)sc2cc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-19-11-7-10-12(6-9(11)13(17)18)20-14(16-10)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyZUWZMSIZTJFWEB-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.36
Rot. Bonds4

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

2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid (PubChem CID 82548345) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
PubChem CID82548345
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
SMILESCOc1cc2nc(NC3CCCC3)sc2cc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-19-11-7-10-12(6-9(11)13(17)18)20-14(16-10)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyZUWZMSIZTJFWEB-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548346
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
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
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate
CID 142483469
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339
N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548384
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid (CID 82548345) is 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid is COc1cc2nc(NC3CCCC3)sc2cc1C(=O)O.
What is the InChIKey of 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is ZUWZMSIZTJFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-11-7-10-12(6-9(11)13(17)18)20-14(16-10)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid?
2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 82548345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).