(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen

C15H15N5O2S — CID 162747915

IUPAC(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESC[C@H]1COC(=O)N1c1ccc2cnc(Nc3ccns3)nc2c1.[H][H]
InChIInChI=1S/C15H13N5O2S.H2/c1-9-8-22-15(21)20(9)11-3-2-10-7-16-14(18-12(10)6-11)19-13-4-5-17-23-13;/h2-7,9H,8H2,1H3,(H,16,18,19);1H/t9-;/m0./s1
InChIKeyJJOOARDADFCLEC-FVGYRXGTSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds3

About (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen

(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen (PubChem CID 162747915) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen
PubChem CID162747915
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESC[C@H]1COC(=O)N1c1ccc2cnc(Nc3ccns3)nc2c1.[H][H]
InChIInChI=1S/C15H13N5O2S.H2/c1-9-8-22-15(21)20(9)11-3-2-10-7-16-14(18-12(10)6-11)19-13-4-5-17-23-13;/h2-7,9H,8H2,1H3,(H,16,18,19);1H/t9-;/m0./s1
InChIKeyJJOOARDADFCLEC-FVGYRXGTSA-N
XLogP3.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The IUPAC name of (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen (CID 162747915) is (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen.
What is the SMILES notation for (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The canonical SMILES for (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen is C[C@H]1COC(=O)N1c1ccc2cnc(Nc3ccns3)nc2c1.[H][H].
What is the InChIKey of (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
The InChIKey is JJOOARDADFCLEC-FVGYRXGTSA-N. The full InChI is InChI=1S/C15H13N5O2S.H2/c1-9-8-22-15(21)20(9)11-3-2-10-7-16-14(18-12(10)6-11)19-13-4-5-17-23-13;/h2-7,9H,8H2,1H3,(H,16,18,19);1H/t9-;/m0./s1.
What are the key properties of (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen?
(4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen has a molecular weight of 329.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3-[2-(1,2-thiazol-5-ylamino)quinazolin-7-yl]-1,3-oxazolidin-2-one;molecular hydrogen is sourced from PubChem (CID 162747915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).