2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline

C12H12N2S — CID 11837453

IUPAC2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline
SMILESc1csc(C2NCc3ccccc3N2)c1
InChIInChI=1S/C12H12N2S/c1-2-5-10-9(4-1)8-13-12(14-10)11-6-3-7-15-11/h1-7,12-14H,8H2
InChIKeyMCPBTXHPLCKQIC-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.96
Rot. Bonds1

About 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline

2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline (PubChem CID 11837453) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline
PubChem CID11837453
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline
SMILESc1csc(C2NCc3ccccc3N2)c1
InChIInChI=1S/C12H12N2S/c1-2-5-10-9(4-1)8-13-12(14-10)11-6-3-7-15-11/h1-7,12-14H,8H2
InChIKeyMCPBTXHPLCKQIC-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline (CID 11837453) is 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline is c1csc(C2NCc3ccccc3N2)c1.
What is the InChIKey of 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is MCPBTXHPLCKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-5-10-9(4-1)8-13-12(14-10)11-6-3-7-15-11/h1-7,12-14H,8H2.
What are the key properties of 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline?
2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 216.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 11837453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).