2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine

C13H10ClN3S — CID 80641425

IUPAC2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
SMILESCc1cccc2nc(-c3sccc3Cl)nc(N)c12
InChIInChI=1S/C13H10ClN3S/c1-7-3-2-4-9-10(7)12(15)17-13(16-9)11-8(14)5-6-18-11/h2-6H,1H3,(H2,15,16,17)
InChIKeySUJWWPUUNHOZRK-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds1

About 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine

2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine (PubChem CID 80641425) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
PubChem CID80641425
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
SMILESCc1cccc2nc(-c3sccc3Cl)nc(N)c12
InChIInChI=1S/C13H10ClN3S/c1-7-3-2-4-9-10(7)12(15)17-13(16-9)11-8(14)5-6-18-11/h2-6H,1H3,(H2,15,16,17)
InChIKeySUJWWPUUNHOZRK-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine (CID 80641425) is 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine is Cc1cccc2nc(-c3sccc3Cl)nc(N)c12.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine?
The InChIKey is SUJWWPUUNHOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-7-3-2-4-9-10(7)12(15)17-13(16-9)11-8(14)5-6-18-11/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine?
2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine has a molecular weight of 275.76 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine is sourced from PubChem (CID 80641425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).