2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C12H10Cl2N2S — CID 62549980

IUPAC2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cccc(Cl)c1-c1nc2c(s1)CNCC2
InChIInChI=1S/C12H10Cl2N2S/c13-7-2-1-3-8(14)11(7)12-16-9-4-5-15-6-10(9)17-12/h1-3,15H,4-6H2
InChIKeyNVJPCPJFVAHTRN-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.76
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62549980) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62549980
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cccc(Cl)c1-c1nc2c(s1)CNCC2
InChIInChI=1S/C12H10Cl2N2S/c13-7-2-1-3-8(14)11(7)12-16-9-4-5-15-6-10(9)17-12/h1-3,15H,4-6H2
InChIKeyNVJPCPJFVAHTRN-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62549980) is 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Clc1cccc(Cl)c1-c1nc2c(s1)CNCC2.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is NVJPCPJFVAHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c13-7-2-1-3-8(14)11(7)12-16-9-4-5-15-6-10(9)17-12/h1-3,15H,4-6H2.
What are the key properties of 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 285.20 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62549980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).