5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine

C14H17ClN2OS — CID 106871633

IUPAC5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine
SMILESCOC1CCCC(Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C14H17ClN2OS/c1-18-10-4-2-3-9(7-10)17-13-11(15)5-6-12-14(13)16-8-19-12/h5-6,8-10,17H,2-4,7H2,1H3
InChIKeyRJLZZZFHYHDBTM-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.32
Rot. Bonds3

About 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine

5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine (PubChem CID 106871633) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine
PubChem CID106871633
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine
SMILESCOC1CCCC(Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C14H17ClN2OS/c1-18-10-4-2-3-9(7-10)17-13-11(15)5-6-12-14(13)16-8-19-12/h5-6,8-10,17H,2-4,7H2,1H3
InChIKeyRJLZZZFHYHDBTM-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
CID 54902456
5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
CID 65070161
5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine
CID 65476017
tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
CID 103759396
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-4-amine
CID 82853450
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzothiazol-4-amine
CID 43674903
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
CID 63043233
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 62655447
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43779328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine (CID 106871633) is 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine is COC1CCCC(Nc2c(Cl)ccc3scnc23)C1.
What is the InChIKey of 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine?
The InChIKey is RJLZZZFHYHDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-18-10-4-2-3-9(7-10)17-13-11(15)5-6-12-14(13)16-8-19-12/h5-6,8-10,17H,2-4,7H2,1H3.
What are the key properties of 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine?
5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine has a molecular weight of 296.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 106871633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).