1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea

C15H12Cl2N4O2S — CID 56952418

IUPAC1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C15H12Cl2N4O2S/c16-8-2-1-3-9(17)11(8)14-20-10-4-5-18-13(12(10)24-14)21-15(23)19-6-7-22/h1-5,22H,6-7H2,(H2,18,19,21,23)
InChIKeyZWCMUAJQEHKRPX-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea

1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea (PubChem CID 56952418) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea
PubChem CID56952418
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C15H12Cl2N4O2S/c16-8-2-1-3-9(17)11(8)14-20-10-4-5-18-13(12(10)24-14)21-15(23)19-6-7-22/h1-5,22H,6-7H2,(H2,18,19,21,23)
InChIKeyZWCMUAJQEHKRPX-UHFFFAOYSA-N
XLogP3.78
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea (CID 56952418) is 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is ZWCMUAJQEHKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c16-8-2-1-3-9(17)11(8)14-20-10-4-5-18-13(12(10)24-14)21-15(23)19-6-7-22/h1-5,22H,6-7H2,(H2,18,19,21,23).
What are the key properties of 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea?
1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 383.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 56952418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).