4-imidazol-1-yl-2-thiophen-3-ylquinazoline

C15H10N4S — CID 17392212

IUPAC4-imidazol-1-yl-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(-n3ccnc3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C15H10N4S/c1-2-4-13-12(3-1)15(19-7-6-16-10-19)18-14(17-13)11-5-8-20-9-11/h1-10H
InChIKeyZBMWHAHNKSWZEE-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.54
Rot. Bonds2

About 4-imidazol-1-yl-2-thiophen-3-ylquinazoline

4-imidazol-1-yl-2-thiophen-3-ylquinazoline (PubChem CID 17392212) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-imidazol-1-yl-2-thiophen-3-ylquinazoline
PubChem CID17392212
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name4-imidazol-1-yl-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(-n3ccnc3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C15H10N4S/c1-2-4-13-12(3-1)15(19-7-6-16-10-19)18-14(17-13)11-5-8-20-9-11/h1-10H
InChIKeyZBMWHAHNKSWZEE-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-imidazol-1-yl-2-thiophen-3-ylquinazoline (CID 17392212) is 4-imidazol-1-yl-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-imidazol-1-yl-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-imidazol-1-yl-2-thiophen-3-ylquinazoline is c1ccc2c(-n3ccnc3)nc(-c3ccsc3)nc2c1.
What is the InChIKey of 4-imidazol-1-yl-2-thiophen-3-ylquinazoline?
The InChIKey is ZBMWHAHNKSWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-2-4-13-12(3-1)15(19-7-6-16-10-19)18-14(17-13)11-5-8-20-9-11/h1-10H.
What are the key properties of 4-imidazol-1-yl-2-thiophen-3-ylquinazoline?
4-imidazol-1-yl-2-thiophen-3-ylquinazoline has a molecular weight of 278.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 17392212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).