N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

C16H17N3O3S — CID 110683000

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)sc1C
InChIInChI=1S/C16H17N3O3S/c1-8-10(3)23-16(17-8)18-14(20)11-5-6-12-13(7-11)22-9(2)15(21)19(12)4/h5-7,9H,1-4H3,(H,17,18,20)
InChIKeyCTRSNOZGMORCDG-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.76
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 110683000) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID110683000
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)sc1C
InChIInChI=1S/C16H17N3O3S/c1-8-10(3)23-16(17-8)18-14(20)11-5-6-12-13(7-11)22-9(2)15(21)19(12)4/h5-7,9H,1-4H3,(H,17,18,20)
InChIKeyCTRSNOZGMORCDG-UHFFFAOYSA-N
XLogP2.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682965
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084540
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62185340
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (CID 110683000) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is Cc1nc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is CTRSNOZGMORCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-8-10(3)23-16(17-8)18-14(20)11-5-6-12-13(7-11)22-9(2)15(21)19(12)4/h5-7,9H,1-4H3,(H,17,18,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110683000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).