2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C20H22N2OS2 — CID 10090582

IUPAC2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C20H22N2OS2/c23-19(22-20-21-10-11-24-20)16(12-14-6-2-1-3-7-14)18-13-15-8-4-5-9-17(15)25-18/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,21,22,23)
InChIKeyVQQOBHFKKPLCAY-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.05
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10090582) has the molecular formula C20H22N2OS2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10090582
Molecular FormulaC20H22N2OS2
Molecular Weight370.54 g/mol
Exact Mass370.12
IUPAC Name2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCCC1)c1cc2ccccc2s1
InChIInChI=1S/C20H22N2OS2/c23-19(22-20-21-10-11-24-20)16(12-14-6-2-1-3-7-14)18-13-15-8-4-5-9-17(15)25-18/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,21,22,23)
InChIKeyVQQOBHFKKPLCAY-UHFFFAOYSA-N
XLogP6.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10159539
2-[4-(1-benzothiophen-2-ylsulfonyl)-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 76585028
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
(Z)-2-(1-benzothiophen-2-yl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 10066738
2-azabicyclo[3.1.0]hexa-1,3,5-triene;3-cyclopentyl-2-(2-ethynylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22465294
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 10090582) is 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCCC1)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VQQOBHFKKPLCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS2/c23-19(22-20-21-10-11-24-20)16(12-14-6-2-1-3-7-14)18-13-15-8-4-5-9-17(15)25-18/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,21,22,23).
What are the key properties of 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 370.54 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10090582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).