5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine

C15H19ClN2S — CID 64742832

IUPAC5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCCC1CCCC(Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C15H19ClN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h6-7,9-10,12H,2-5,8H2,1H3,(H,17,18)
InChIKeyPUZUBCSQMMJMAT-UHFFFAOYSA-N
MW294.85 g/mol
LogP5.33
Rot. Bonds3

About 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine

5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine (PubChem CID 64742832) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
PubChem CID64742832
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCCC1CCCC(Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C15H19ClN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h6-7,9-10,12H,2-5,8H2,1H3,(H,17,18)
InChIKeyPUZUBCSQMMJMAT-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.85
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
5-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 65470712
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
CID 79400017
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine (CID 64742832) is 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine is CCC1CCCC(Nc2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine?
The InChIKey is PUZUBCSQMMJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h6-7,9-10,12H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine has a molecular weight of 294.85 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 64742832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).