N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

C16H17N5O4S — CID 157015373

IUPACN-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)Cc1nnc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1
InChIInChI=1S/C16H17N5O4S/c1-20(2)13(22)7-12-18-19-16(26-12)17-15(24)9-4-5-11-10(6-9)21(3)14(23)8-25-11/h4-6H,7-8H2,1-3H3,(H,17,19,24)
InChIKeyCQQMYGGWWPAMEJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.78
Rot. Bonds4

About N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 157015373) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID157015373
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)Cc1nnc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1
InChIInChI=1S/C16H17N5O4S/c1-20(2)13(22)7-12-18-19-16(26-12)17-15(24)9-4-5-11-10(6-9)21(3)14(23)8-25-11/h4-6H,7-8H2,1-3H3,(H,17,19,24)
InChIKeyCQQMYGGWWPAMEJ-UHFFFAOYSA-N
XLogP0.78
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077
N-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131934697
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
4-chloro-N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 22694411
4-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763836

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 157015373) is N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is CN(C)C(=O)Cc1nnc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is CQQMYGGWWPAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-20(2)13(22)7-12-18-19-16(26-12)17-15(24)9-4-5-11-10(6-9)21(3)14(23)8-25-11/h4-6H,7-8H2,1-3H3,(H,17,19,24).
What are the key properties of N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 157015373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).