2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine

C17H13N5S — CID 10358578

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1
InChIInChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
InChIKeyNBMFKJACAZPWPF-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine

2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 10358578) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID10358578
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESCc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1
InChIInChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
InChIKeyNBMFKJACAZPWPF-UHFFFAOYSA-N
XLogP4.20
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine (CID 10358578) is 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine is Cc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is NBMFKJACAZPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 319.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 10358578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).