N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide

C13H13N3O2S — CID 108519268

IUPACN'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
SMILESCc1csc(NC(=O)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C13H13N3O2S/c1-9-8-19-13(14-9)15-11(17)12(18)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17)
InChIKeyHBFUYUQGWYRHNO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.05
Rot. Bonds2

About N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide

N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide (PubChem CID 108519268) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
PubChem CID108519268
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
SMILESCc1csc(NC(=O)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C13H13N3O2S/c1-9-8-19-13(14-9)15-11(17)12(18)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17)
InChIKeyHBFUYUQGWYRHNO-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
N-(6-methyl-2-pyridinyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519296
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519396
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997250
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 86861212
N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 95209343

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide?
The IUPAC name of N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide (CID 108519268) is N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide.
What is the SMILES notation for N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide?
The canonical SMILES for N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide is Cc1csc(NC(=O)C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide?
The InChIKey is HBFUYUQGWYRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-8-19-13(14-9)15-11(17)12(18)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17).
What are the key properties of N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide?
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide has a molecular weight of 275.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide is sourced from PubChem (CID 108519268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).