3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane

C19H23N3OS — CID 157066316

IUPAC3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
SMILESC.[C-]#[N+]c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H19N3OS.CH4/c1-19-15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-18-20-10-11-23-18;/h6-11,13,16H,2-5,12H2,(H,20,21,22);1H4
InChIKeyABXKENSSNRQYEQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.63
Rot. Bonds5

About 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane

3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane (PubChem CID 157066316) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
PubChem CID157066316
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
SMILESC.[C-]#[N+]c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H19N3OS.CH4/c1-19-15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-18-20-10-11-23-18;/h6-11,13,16H,2-5,12H2,(H,20,21,22);1H4
InChIKeyABXKENSSNRQYEQ-UHFFFAOYSA-N
XLogP5.63
TPSA46.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
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-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10200796
[4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-(hydroxyamino)phenyl]methanesulfinate
CID 174372789

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane?
The IUPAC name of 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane (CID 157066316) is 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane.
What is the SMILES notation for 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane?
The canonical SMILES for 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane is C.[C-]#[N+]c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane?
The InChIKey is ABXKENSSNRQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS.CH4/c1-19-15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-18-20-10-11-23-18;/h6-11,13,16H,2-5,12H2,(H,20,21,22);1H4.
What are the key properties of 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane?
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane has a molecular weight of 341.48 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane is sourced from PubChem (CID 157066316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).