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

C14H15N3O2S — CID 44997308

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
SMILESCc1csc(NC(=O)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H15N3O2S/c1-9-8-20-14(15-9)17-13(19)12(18)16-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMXVMSYGQQDQCEC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.27
Rot. Bonds3

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

N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide (PubChem CID 44997308) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
PubChem CID44997308
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
SMILESCc1csc(NC(=O)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H15N3O2S/c1-9-8-20-14(15-9)17-13(19)12(18)16-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMXVMSYGQQDQCEC-UHFFFAOYSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
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)-2-phenylacetamide
CID 47841065
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194279
1-(2-methylsulfinyl-1-phenylethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 75424362
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide (CID 44997308) is N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide is Cc1csc(NC(=O)C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide?
The InChIKey is MXVMSYGQQDQCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-8-20-14(15-9)17-13(19)12(18)16-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide?
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide has a molecular weight of 289.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 44997308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).