2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C19H16ClNO3S — CID 7721164

IUPAC2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCCOc1ccccc1Cl
InChIInChI=1S/C19H16ClNO3S/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)24-12-11-23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3
InChIKeyJVVKLWPGBSQXKS-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.01
Rot. Bonds6

About 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 7721164) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID7721164
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)OCCOc1ccccc1Cl
InChIInChI=1S/C19H16ClNO3S/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)24-12-11-23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3
InChIKeyJVVKLWPGBSQXKS-UHFFFAOYSA-N
XLogP5.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724558
2-(2-fluorophenyl)sulfanylethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721283
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
2-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988096
2-(2-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614294
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
[2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721000
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837680
3-cyanopropyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46574519

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 7721164) is 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is JVVKLWPGBSQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-13-17(25-18(21-13)14-7-3-2-4-8-14)19(22)24-12-11-23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 373.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7721164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).