(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide

C20H17ClN2O2S — CID 86883492

IUPAC(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccccc1OCc1cscn1)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-14(16-6-2-3-7-17(16)21)10-20(24)23-18-8-4-5-9-19(18)25-11-15-12-26-13-22-15/h2-10,12-13H,11H2,1H3,(H,23,24)/b14-10-
InChIKeyLIDIHXOUJVDVJY-UVTDQMKNSA-N
MW384.89 g/mol
LogP5.42
Rot. Bonds6

About (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide

(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide (PubChem CID 86883492) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
PubChem CID86883492
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccccc1OCc1cscn1)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-14(16-6-2-3-7-17(16)21)10-20(24)23-18-8-4-5-9-19(18)25-11-15-12-26-13-22-15/h2-10,12-13H,11H2,1H3,(H,23,24)/b14-10-
InChIKeyLIDIHXOUJVDVJY-UVTDQMKNSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide
CID 72685113
1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 51131972
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]oxamide
CID 86876918
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87004703
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
[2-(1,3-thiazol-4-ylmethoxy)phenyl] 3-acetamido-4-fluorobenzoate
CID 75524740
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide?
The IUPAC name of (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide (CID 86883492) is (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide is C/C(=C/C(=O)Nc1ccccc1OCc1cscn1)c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide?
The InChIKey is LIDIHXOUJVDVJY-UVTDQMKNSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-14(16-6-2-3-7-17(16)21)10-20(24)23-18-8-4-5-9-19(18)25-11-15-12-26-13-22-15/h2-10,12-13H,11H2,1H3,(H,23,24)/b14-10-.
What are the key properties of (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide?
(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide has a molecular weight of 384.89 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 86883492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).