2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C16H20N2OS — CID 43952212

IUPAC2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CC3CCCCC3)nc12
InChIInChI=1S/C16H20N2OS/c1-11-6-5-9-13-15(11)18-16(20-13)17-14(19)10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,19)
InChIKeyIMAVRRUGMVBKJH-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.51
Rot. Bonds3

About 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43952212) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43952212
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CC3CCCCC3)nc12
InChIInChI=1S/C16H20N2OS/c1-11-6-5-9-13-15(11)18-16(20-13)17-14(19)10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,19)
InChIKeyIMAVRRUGMVBKJH-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17400491
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
2-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2218666
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 43952212) is 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)CC3CCCCC3)nc12.
What is the InChIKey of 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IMAVRRUGMVBKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-6-5-9-13-15(11)18-16(20-13)17-14(19)10-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43952212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).