2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide

C17H22N2O2S — CID 24537642

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C17H22N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-21-11-17-19-14-8-4-5-9-15(14)22-17/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyMZSRDPHZVPJQPK-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.51
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide (PubChem CID 24537642) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
PubChem CID24537642
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C17H22N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-21-11-17-19-14-8-4-5-9-15(14)22-17/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyMZSRDPHZVPJQPK-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8906725
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8802357
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159715
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 30618549
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9048133
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 11936952
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 11932295
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35235298

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide (CID 24537642) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)COCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is MZSRDPHZVPJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-6-2-3-7-13(12)18-16(20)10-21-11-17-19-14-8-4-5-9-15(14)22-17/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 24537642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).