2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C15H21NO2S — CID 116774139

IUPAC2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOC1(c2nc3c(s2)C(=O)CCC3)CCCC(C)C1
InChIInChI=1S/C15H21NO2S/c1-10-5-4-8-15(9-10,18-2)14-16-11-6-3-7-12(17)13(11)19-14/h10H,3-9H2,1-2H3
InChIKeyYFEZJEPNPOLLGZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.71
Rot. Bonds2

About 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 116774139) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID116774139
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOC1(c2nc3c(s2)C(=O)CCC3)CCCC(C)C1
InChIInChI=1S/C15H21NO2S/c1-10-5-4-8-15(9-10,18-2)14-16-11-6-3-7-12(17)13(11)19-14/h10H,3-9H2,1-2H3
InChIKeyYFEZJEPNPOLLGZ-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 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-(1-methoxycyclobutyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116727489
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116774217
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-amine
CID 116782578
[2-(1-methoxy-3-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777478
[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116778134
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774417
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017839

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 116774139) is 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is COC1(c2nc3c(s2)C(=O)CCC3)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is YFEZJEPNPOLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-5-4-8-15(9-10,18-2)14-16-11-6-3-7-12(17)13(11)19-14/h10H,3-9H2,1-2H3.
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 279.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 116774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).