ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

C18H15ClN2O3S — CID 90643519

IUPACethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c1-3-24-18(22)16-15(13-5-4-12(23-2)10-14(13)19)21-17(25-16)11-6-8-20-9-7-11/h4-10H,3H2,1-2H3
InChIKeyDRVZBNFJABEKEJ-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.71
Rot. Bonds5

About ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 90643519) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID90643519
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Nameethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c1-3-24-18(22)16-15(13-5-4-12(23-2)10-14(13)19)21-17(25-16)11-6-8-20-9-7-11/h4-10H,3H2,1-2H3
InChIKeyDRVZBNFJABEKEJ-UHFFFAOYSA-N
XLogP4.71
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (CID 90643519) is ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc(OC)cc1Cl.
What is the InChIKey of ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is DRVZBNFJABEKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-3-24-18(22)16-15(13-5-4-12(23-2)10-14(13)19)21-17(25-16)11-6-8-20-9-7-11/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 374.85 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90643519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).