N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide

C19H16N6OS — CID 10309313

IUPACN-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)c3c(-c4ccn[nH]4)cccc3n2)cc1
InChIInChI=1S/C19H16N6OS/c1-11(26)22-12-5-7-13(8-6-12)27-19-23-16-4-2-3-14(15-9-10-21-25-15)17(16)18(20)24-19/h2-10H,1H3,(H,21,25)(H,22,26)(H2,20,23,24)
InChIKeyBDJWSSJELZOKDO-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.71
Rot. Bonds4

About N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide

N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide (PubChem CID 10309313) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide
PubChem CID10309313
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)c3c(-c4ccn[nH]4)cccc3n2)cc1
InChIInChI=1S/C19H16N6OS/c1-11(26)22-12-5-7-13(8-6-12)27-19-23-16-4-2-3-14(15-9-10-21-25-15)17(16)18(20)24-19/h2-10H,1H3,(H,21,25)(H,22,26)(H2,20,23,24)
InChIKeyBDJWSSJELZOKDO-UHFFFAOYSA-N
XLogP3.71
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide (CID 10309313) is N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(N)c3c(-c4ccn[nH]4)cccc3n2)cc1.
What is the InChIKey of N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide?
The InChIKey is BDJWSSJELZOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11(26)22-12-5-7-13(8-6-12)27-19-23-16-4-2-3-14(15-9-10-21-25-15)17(16)18(20)24-19/h2-10H,1H3,(H,21,25)(H,22,26)(H2,20,23,24).
What are the key properties of N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide?
N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 10309313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).