2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C19H25N5O2S — CID 51966208

IUPAC2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCCN(CC)c1ncc([C@@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)s1
InChIInChI=1S/C19H25N5O2S/c1-5-23(6-2)19-21-11-15(27-19)17-22(4)18(26)13-9-7-8-10-14(13)24(17)12-16(25)20-3/h7-11,17H,5-6,12H2,1-4H3,(H,20,25)/t17-/m1/s1
InChIKeyZXLGYOMXXFVEEB-QGZVFWFLSA-N
MW387.51 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 51966208) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID51966208
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCCN(CC)c1ncc([C@@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)s1
InChIInChI=1S/C19H25N5O2S/c1-5-23(6-2)19-21-11-15(27-19)17-22(4)18(26)13-9-7-8-10-14(13)24(17)12-16(25)20-3/h7-11,17H,5-6,12H2,1-4H3,(H,20,25)/t17-/m1/s1
InChIKeyZXLGYOMXXFVEEB-QGZVFWFLSA-N
XLogP2.33
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 51966208) is 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CCN(CC)c1ncc([C@@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)s1.
What is the InChIKey of 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is ZXLGYOMXXFVEEB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-5-23(6-2)19-21-11-15(27-19)17-22(4)18(26)13-9-7-8-10-14(13)24(17)12-16(25)20-3/h7-11,17H,5-6,12H2,1-4H3,(H,20,25)/t17-/m1/s1.
What are the key properties of 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 387.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51966208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).