2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine

C16H17N3S — CID 65237965

IUPAC2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2cc(C)c(C)s2)nc2ccccc12
InChIInChI=1S/C16H17N3S/c1-4-17-15-12-7-5-6-8-13(12)18-16(19-15)14-9-10(2)11(3)20-14/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyRMSSEOOHHQSHBJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.41
Rot. Bonds3

About 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine

2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine (PubChem CID 65237965) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine
PubChem CID65237965
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine
SMILESCCNc1nc(-c2cc(C)c(C)s2)nc2ccccc12
InChIInChI=1S/C16H17N3S/c1-4-17-15-12-7-5-6-8-13(12)18-16(19-15)14-9-10(2)11(3)20-14/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyRMSSEOOHHQSHBJ-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine?
The IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine (CID 65237965) is 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine?
The canonical SMILES for 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine is CCNc1nc(-c2cc(C)c(C)s2)nc2ccccc12.
What is the InChIKey of 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine?
The InChIKey is RMSSEOOHHQSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-4-17-15-12-7-5-6-8-13(12)18-16(19-15)14-9-10(2)11(3)20-14/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine?
2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-2-yl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 65237965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).