2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H13F2N5S — CID 10292517

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccc(F)cc3F)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H13F2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyRWTNMIRDFCFFIA-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.83
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10292517) has the molecular formula C18H13F2N5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10292517
Molecular FormulaC18H13F2N5S
Molecular Weight369.40 g/mol
Exact Mass369.09
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccc(F)cc3F)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H13F2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyRWTNMIRDFCFFIA-UHFFFAOYSA-N
XLogP4.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-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 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10292517) is 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Sc3ccc(F)cc3F)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is RWTNMIRDFCFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 369.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10292517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).