5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine

C14H17ClN2OS — CID 82549300

IUPAC5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(NC3CCCCC3)nc2cc1Cl
InChIInChI=1S/C14H17ClN2OS/c1-18-12-8-13-11(7-10(12)15)17-14(19-13)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyKKPTUGZITMPQKE-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.70
Rot. Bonds3

About 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine

5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 82549300) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID82549300
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(NC3CCCCC3)nc2cc1Cl
InChIInChI=1S/C14H17ClN2OS/c1-18-12-8-13-11(7-10(12)15)17-14(19-13)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyKKPTUGZITMPQKE-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548346
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548345
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548384
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
5-chloro-6-methoxy-1,3-benzothiazole-2-carbonitrile
CID 58427760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine (CID 82549300) is 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine is COc1cc2sc(NC3CCCCC3)nc2cc1Cl.
What is the InChIKey of 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is KKPTUGZITMPQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-18-12-8-13-11(7-10(12)15)17-14(19-13)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine?
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 296.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).