(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C15H15N3O3S2 — CID 95348443

IUPAC(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCSc1sc(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)nc1C
InChIInChI=1S/C15H15N3O3S2/c1-7-14(22-3)23-15(16-7)18-13(20)9-5-4-6-10-11(9)21-8(2)12(19)17-10/h4-6,8H,1-3H3,(H,17,19)(H,16,18,20)/t8-/m1/s1
InChIKeyBQHDMPUUZXQUAP-MRVPVSSYSA-N
MW349.44 g/mol
LogP3.15
Rot. Bonds3

About (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 95348443) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID95348443
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCSc1sc(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)nc1C
InChIInChI=1S/C15H15N3O3S2/c1-7-14(22-3)23-15(16-7)18-13(20)9-5-4-6-10-11(9)21-8(2)12(19)17-10/h4-6,8H,1-3H3,(H,17,19)(H,16,18,20)/t8-/m1/s1
InChIKeyBQHDMPUUZXQUAP-MRVPVSSYSA-N
XLogP3.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
N-(3,4-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701895
N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701906
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
(2S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95330780
2-methyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]phenyl]propanoic acid
CID 119253854
(2S)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 97311116
2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701855
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263
3-(2-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 86812956
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119997128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 95348443) is (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CSc1sc(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)nc1C.
What is the InChIKey of (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is BQHDMPUUZXQUAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-7-14(22-3)23-15(16-7)18-13(20)9-5-4-6-10-11(9)21-8(2)12(19)17-10/h4-6,8H,1-3H3,(H,17,19)(H,16,18,20)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 95348443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).