methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate

C19H22N2O3S — CID 20707097

IUPACmethyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-18(23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-19-20-10-11-25-19/h6-11,13,16H,2-5,12H2,1H3,(H,20,21,22)
InChIKeyNBKBSEBPJKFBRP-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.23
Rot. Bonds6

About methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate

methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate (PubChem CID 20707097) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
PubChem CID20707097
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Namemethyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-18(23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-19-20-10-11-25-19/h6-11,13,16H,2-5,12H2,1H3,(H,20,21,22)
InChIKeyNBKBSEBPJKFBRP-UHFFFAOYSA-N
XLogP4.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
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2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-(4-naphthalen-1-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
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3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
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2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
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2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate?
The IUPAC name of methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate (CID 20707097) is methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate is COC(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate?
The InChIKey is NBKBSEBPJKFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-18(23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(22)21-19-20-10-11-25-19/h6-11,13,16H,2-5,12H2,1H3,(H,20,21,22).
What are the key properties of methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate?
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate has a molecular weight of 358.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate is sourced from PubChem (CID 20707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).