3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide

C18H20Cl2N2O2S — CID 22315087

IUPAC3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1nc(CO)cs1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2S/c19-15-6-5-12(8-16(15)20)14(7-11-3-1-2-4-11)17(24)22-18-21-13(9-23)10-25-18/h5-6,8,10-11,14,23H,1-4,7,9H2,(H,21,22,24)
InChIKeyIGONHSGHMVQSQI-UHFFFAOYSA-N
MW399.34 g/mol
LogP5.24
Rot. Bonds6

About 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide

3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 22315087) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID22315087
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(Nc1nc(CO)cs1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2S/c19-15-6-5-12(8-16(15)20)14(7-11-3-1-2-4-11)17(24)22-18-21-13(9-23)10-25-18/h5-6,8,10-11,14,23H,1-4,7,9H2,(H,21,22,24)
InChIKeyIGONHSGHMVQSQI-UHFFFAOYSA-N
XLogP5.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.34
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide (CID 22315087) is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide is O=C(Nc1nc(CO)cs1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IGONHSGHMVQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c19-15-6-5-12(8-16(15)20)14(7-11-3-1-2-4-11)17(24)22-18-21-13(9-23)10-25-18/h5-6,8,10-11,14,23H,1-4,7,9H2,(H,21,22,24).
What are the key properties of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide?
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 399.34 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 22315087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).