5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C17H14N4OS — CID 11723642

IUPAC5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H14N4OS/c1-11-3-2-4-14-13(11)9-21(17(22)19-14)15-10-23-16(20-15)12-5-7-18-8-6-12/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyKDABLNSGDCWFLA-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.07
Rot. Bonds2

About 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 11723642) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID11723642
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H14N4OS/c1-11-3-2-4-14-13(11)9-21(17(22)19-14)15-10-23-16(20-15)12-5-7-18-8-6-12/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyKDABLNSGDCWFLA-UHFFFAOYSA-N
XLogP4.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 11723642) is 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is Cc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2.
What is the InChIKey of 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is KDABLNSGDCWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-3-2-4-14-13(11)9-21(17(22)19-14)15-10-23-16(20-15)12-5-7-18-8-6-12/h2-8,10H,9H2,1H3,(H,19,22).
What are the key properties of 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 322.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11723642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).