7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C17H12ClN5S — CID 44592255

IUPAC7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESClc1cccc(Nc2ncnc3nc(Nc4ccccc4)sc23)c1
InChIInChI=1S/C17H12ClN5S/c18-11-5-4-8-13(9-11)21-15-14-16(20-10-19-15)23-17(24-14)22-12-6-2-1-3-7-12/h1-10H,(H2,19,20,21,22,23)
InChIKeyBZHGWJFQGLQTNX-UHFFFAOYSA-N
MW353.84 g/mol
LogP5.23
Rot. Bonds4

About 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 44592255) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID44592255
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESClc1cccc(Nc2ncnc3nc(Nc4ccccc4)sc23)c1
InChIInChI=1S/C17H12ClN5S/c18-11-5-4-8-13(9-11)21-15-14-16(20-10-19-15)23-17(24-14)22-12-6-2-1-3-7-12/h1-10H,(H2,19,20,21,22,23)
InChIKeyBZHGWJFQGLQTNX-UHFFFAOYSA-N
XLogP5.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.84
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-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 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 44592255) is 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is Clc1cccc(Nc2ncnc3nc(Nc4ccccc4)sc23)c1.
What is the InChIKey of 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is BZHGWJFQGLQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c18-11-5-4-8-13(9-11)21-15-14-16(20-10-19-15)23-17(24-14)22-12-6-2-1-3-7-12/h1-10H,(H2,19,20,21,22,23).
What are the key properties of 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 353.84 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-chlorophenyl)-2-N-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 44592255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).