N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

C15H12ClN5S — CID 11198278

IUPACN-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(Cl)nc3)ncc1CC2
InChIInChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21)
InChIKeyANWMSXOBKGKAOJ-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.80
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 11198278) has the molecular formula C15H12ClN5S and a molecular weight of 329.82 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID11198278
Molecular FormulaC15H12ClN5S
Molecular Weight329.82 g/mol
Exact Mass329.05
IUPAC NameN-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccc(Cl)nc3)ncc1CC2
InChIInChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21)
InChIKeyANWMSXOBKGKAOJ-UHFFFAOYSA-N
XLogP3.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine 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 N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 11198278) is N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1nc2c(s1)-c1nc(Nc3ccc(Cl)nc3)ncc1CC2.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is ANWMSXOBKGKAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 329.82 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 11198278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).