N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide

C15H18N2O2S — CID 111536402

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H18N2O2S/c18-13(10-15(19)8-4-1-5-9-15)17-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,16,17,18)
InChIKeySKQFUUYRKFSPTF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.32
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111536402) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111536402
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H18N2O2S/c18-13(10-15(19)8-4-1-5-9-15)17-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,16,17,18)
InChIKeySKQFUUYRKFSPTF-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(1,3-benzothiazol-2-yl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17464140
N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 9193479
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide (CID 111536402) is N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is SKQFUUYRKFSPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13(10-15(19)8-4-1-5-9-15)17-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,19H,1,4-5,8-10H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111536402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).