N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine

C18H15N5S — CID 10268530

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5S/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyQITTZHVXBHDUGY-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.56
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine (PubChem CID 10268530) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine
PubChem CID10268530
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5S/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyQITTZHVXBHDUGY-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine (CID 10268530) is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine is Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine?
The InChIKey is QITTZHVXBHDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylsulfanylquinazolin-4-amine is sourced from PubChem (CID 10268530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).