5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine

C18H14N4S — CID 10236668

IUPAC5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C18H14N4S/c1-12-11-19-18(23-12)22-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22)
InChIKeyRVXAVLKJEPIRIR-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.81
Rot. Bonds3

About 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine

5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 10236668) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine
PubChem CID10236668
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C18H14N4S/c1-12-11-19-18(23-12)22-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22)
InChIKeyRVXAVLKJEPIRIR-UHFFFAOYSA-N
XLogP4.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine (CID 10236668) is 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is RVXAVLKJEPIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-12-11-19-18(23-12)22-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine?
5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 318.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10236668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).