2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C15H21NO2S — CID 116774220

IUPAC2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOC(c1nc2c(s1)CCCC2=O)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-18-14(10-6-3-2-4-7-10)15-16-13-11(17)8-5-9-12(13)19-15/h10,14H,2-9H2,1H3
InChIKeyMIXCVERUQKERMG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.93
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 116774220) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID116774220
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCOC(c1nc2c(s1)CCCC2=O)C1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-18-14(10-6-3-2-4-7-10)15-16-13-11(17)8-5-9-12(13)19-15/h10,14H,2-9H2,1H3
InChIKeyMIXCVERUQKERMG-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-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-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116727535
ethyl 2-[cyclohexyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116744481
2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
CID 130501377
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384687
2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116774217
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 116774203
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
2-[methyl(oxan-4-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976343
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-(3-methyl-1,4-dithian-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 115388319
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976302
2-[1-methoxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976281

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 116774220) is 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is COC(c1nc2c(s1)CCCC2=O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is MIXCVERUQKERMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-18-14(10-6-3-2-4-7-10)15-16-13-11(17)8-5-9-12(13)19-15/h10,14H,2-9H2,1H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 279.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 116774220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).