2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide

C17H18Cl2N2O2S — CID 10000139

IUPAC2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCC(O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(22)7-10)16(23)21-17-20-5-6-24-17/h2,4-6,9-10,12-13,22H,1,3,7-8H2,(H,20,21,23)
InChIKeyNTQYHMBFILUHFC-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.72
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide

2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10000139) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10000139
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCC(O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(22)7-10)16(23)21-17-20-5-6-24-17/h2,4-6,9-10,12-13,22H,1,3,7-8H2,(H,20,21,23)
InChIKeyNTQYHMBFILUHFC-UHFFFAOYSA-N
XLogP4.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10408546
2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 73082104
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-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22315205
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
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-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide (CID 10000139) is 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCC(O)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NTQYHMBFILUHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(22)7-10)16(23)21-17-20-5-6-24-17/h2,4-6,9-10,12-13,22H,1,3,7-8H2,(H,20,21,23).
What are the key properties of 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 385.32 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10000139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).