2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline

C13H12N2S — CID 54502529

IUPAC2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline
SMILESCC1=NC(c2cccs2)c2ccccc2N1
InChIInChI=1S/C13H12N2S/c1-9-14-11-6-3-2-5-10(11)13(15-9)12-7-4-8-16-12/h2-8,13H,1H3,(H,14,15)
InChIKeyYDLDYEPFEUNBDS-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.68
Rot. Bonds1

About 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline

2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline (PubChem CID 54502529) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline
PubChem CID54502529
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline
SMILESCC1=NC(c2cccs2)c2ccccc2N1
InChIInChI=1S/C13H12N2S/c1-9-14-11-6-3-2-5-10(11)13(15-9)12-7-4-8-16-12/h2-8,13H,1H3,(H,14,15)
InChIKeyYDLDYEPFEUNBDS-UHFFFAOYSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline?
The IUPAC name of 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline (CID 54502529) is 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline.
What is the SMILES notation for 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline?
The canonical SMILES for 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline is CC1=NC(c2cccs2)c2ccccc2N1.
What is the InChIKey of 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline?
The InChIKey is YDLDYEPFEUNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-14-11-6-3-2-5-10(11)13(15-9)12-7-4-8-16-12/h2-8,13H,1H3,(H,14,15).
What are the key properties of 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline?
2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline has a molecular weight of 228.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-yl-1,4-dihydroquinazoline is sourced from PubChem (CID 54502529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).