(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C17H16Cl2N2OS — CID 10270299

IUPAC(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(Nc1nccs1)/C(=C/C1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2OS/c18-14-6-5-12(10-15(14)19)13(9-11-3-1-2-4-11)16(22)21-17-20-7-8-23-17/h5-11H,1-4H2,(H,20,21,22)/b13-9+
InChIKeyLPANTTLHGJJATA-UKTHLTGXSA-N
MW367.30 g/mol
LogP5.66
Rot. Bonds4

About (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 10270299) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID10270299
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(Nc1nccs1)/C(=C/C1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2OS/c18-14-6-5-12(10-15(14)19)13(9-11-3-1-2-4-11)16(22)21-17-20-7-8-23-17/h5-11H,1-4H2,(H,20,21,22)/b13-9+
InChIKeyLPANTTLHGJJATA-UKTHLTGXSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 2462314
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-thiazol-2-yl-propionamide
CID 9820651
(E)-2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-thiazol-2-yl-acrylamide
CID 10136295
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-hydroxymethyl-thiazol-2-yl)-propionamide
CID 12088921
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 22315145
3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 738526
(S)-2-(4-chlorophenyl)-N-(5-chlorothiazol-2-yl)-3-methylbutanamide
CID 46226253
(S)-2-(4-chlorophenyl)-N-(5-chlorothiazol-2-yl)-3,3-dimethylbutanamide
CID 46226274

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 10270299) is (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(Nc1nccs1)/C(=C/C1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is LPANTTLHGJJATA-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c18-14-6-5-12(10-15(14)19)13(9-11-3-1-2-4-11)16(22)21-17-20-7-8-23-17/h5-11H,1-4H2,(H,20,21,22)/b13-9+.
What are the key properties of (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 367.30 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 10270299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).