2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide

C15H18N2O2S2 — CID 43388703

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCC(O)CC1
InChIInChI=1S/C15H18N2O2S2/c18-11-7-5-10(6-8-11)16-14(19)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-4,10-11,18H,5-9H2,(H,16,19)
InChIKeyVHIWIUDKZOQUFF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.81
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 43388703) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID43388703
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCC(O)CC1
InChIInChI=1S/C15H18N2O2S2/c18-11-7-5-10(6-8-11)16-14(19)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-4,10-11,18H,5-9H2,(H,16,19)
InChIKeyVHIWIUDKZOQUFF-UHFFFAOYSA-N
XLogP2.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 2490325
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46525194
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630967
2-[2-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 23822602
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 5104601
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 883492
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119590714
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-cyclopropylpyrimidin-4-yl)methyl]acetamide
CID 122263862
N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1251731

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide (CID 43388703) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide is O=C(CSc1nc2ccccc2s1)NC1CCC(O)CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is VHIWIUDKZOQUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-11-7-5-10(6-8-11)16-14(19)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-4,10-11,18H,5-9H2,(H,16,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 43388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).