(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one

C17H17N5O2S — CID 162748015

IUPAC(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1nsc(Nc2ncc3ccc(N4C(=O)OC[C@@H]4C)cc3n2)c1C
InChIInChI=1S/C17H17N5O2S/c1-9-8-24-17(23)22(9)13-5-4-12-7-18-16(19-14(12)6-13)20-15-10(2)11(3)21-25-15/h4-7,9H,8H2,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyMEUGAMKGOATQQO-VIFPVBQESA-N
MW355.42 g/mol
LogP3.79
Rot. Bonds3

About (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 162748015) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID162748015
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1nsc(Nc2ncc3ccc(N4C(=O)OC[C@@H]4C)cc3n2)c1C
InChIInChI=1S/C17H17N5O2S/c1-9-8-24-17(23)22(9)13-5-4-12-7-18-16(19-14(12)6-13)20-15-10(2)11(3)21-25-15/h4-7,9H,8H2,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyMEUGAMKGOATQQO-VIFPVBQESA-N
XLogP3.79
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one (CID 162748015) is (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one is Cc1nsc(Nc2ncc3ccc(N4C(=O)OC[C@@H]4C)cc3n2)c1C.
What is the InChIKey of (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MEUGAMKGOATQQO-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-9-8-24-17(23)22(9)13-5-4-12-7-18-16(19-14(12)6-13)20-15-10(2)11(3)21-25-15/h4-7,9H,8H2,1-3H3,(H,18,19,20)/t9-/m0/s1.
What are the key properties of (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 355.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[(3,4-dimethyl-1,2-thiazol-5-yl)amino]quinazolin-7-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162748015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).