2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

C18H17NO3S2 — CID 46660295

IUPAC2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(CCOC(=O)c2sc(-c3ccsc3)nc2C)cc1
InChIInChI=1S/C18H17NO3S2/c1-12-16(24-17(19-12)14-8-10-23-11-14)18(20)22-9-7-13-3-5-15(21-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyUKUAGMFSHWTLRX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 46660295) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
PubChem CID46660295
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(CCOC(=O)c2sc(-c3ccsc3)nc2C)cc1
InChIInChI=1S/C18H17NO3S2/c1-12-16(24-17(19-12)14-8-10-23-11-14)18(20)22-9-7-13-3-5-15(21-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyUKUAGMFSHWTLRX-UHFFFAOYSA-N
XLogP4.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116359
3-(1,3-dioxoisoindol-2-yl)propyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116781
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 9077341
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660116
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33117147
2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
CID 65446877
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660666
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (CID 46660295) is 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is COc1ccc(CCOC(=O)c2sc(-c3ccsc3)nc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is UKUAGMFSHWTLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-12-16(24-17(19-12)14-8-10-23-11-14)18(20)22-9-7-13-3-5-15(21-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 46660295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).