7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine

C15H19ClN2OS — CID 82548927

IUPAC7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc(Cl)c2sc(NC3CCCCC3)nc12
InChIInChI=1S/C15H19ClN2OS/c1-2-19-12-9-8-11(16)14-13(12)18-15(20-14)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyDYHYLCCMJQIIIG-UHFFFAOYSA-N
MW310.85 g/mol
LogP5.09
Rot. Bonds4

About 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine

7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 82548927) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
PubChem CID82548927
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc(Cl)c2sc(NC3CCCCC3)nc12
InChIInChI=1S/C15H19ClN2OS/c1-2-19-12-9-8-11(16)14-13(12)18-15(20-14)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyDYHYLCCMJQIIIG-UHFFFAOYSA-N
XLogP5.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-cyclohexyl-4-ethoxy-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

N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192099
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
CID 82549515
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine
CID 114119919
4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
CID 82548993
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
4,7-dichloro-2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941368
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]cyclohexanecarboxamide;hydrochloride
CID 44938736

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine (CID 82548927) is 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc(Cl)c2sc(NC3CCCCC3)nc12.
What is the InChIKey of 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is DYHYLCCMJQIIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-2-19-12-9-8-11(16)14-13(12)18-15(20-14)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine?
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 310.85 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).