4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

C16H10Cl2N6S — CID 66807105

IUPAC4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C16H10Cl2N6S/c17-8-2-1-3-9(18)13(8)16-23-10-4-5-20-15(14(10)25-16)24-12-6-11(19)21-7-22-12/h1-7H,(H3,19,20,21,22,24)
InChIKeyFXYMLHQCORJKET-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.78
Rot. Bonds3

About 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 66807105) has the molecular formula C16H10Cl2N6S and a molecular weight of 389.27 g/mol. Its IUPAC name is 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID66807105
Molecular FormulaC16H10Cl2N6S
Molecular Weight389.27 g/mol
Exact Mass388.01
IUPAC Name4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C16H10Cl2N6S/c17-8-2-1-3-9(18)13(8)16-23-10-4-5-20-15(14(10)25-16)24-12-6-11(19)21-7-22-12/h1-7H,(H3,19,20,21,22,24)
InChIKeyFXYMLHQCORJKET-UHFFFAOYSA-N
XLogP4.78
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 66807105) is 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is Nc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1.
What is the InChIKey of 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is FXYMLHQCORJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6S/c17-8-2-1-3-9(18)13(8)16-23-10-4-5-20-15(14(10)25-16)24-12-6-11(19)21-7-22-12/h1-7H,(H3,19,20,21,22,24).
What are the key properties of 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 389.27 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 66807105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).