N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide

C16H16N6O2S — CID 97257659

IUPACN'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ns1)c1nncn1C
InChIInChI=1S/C16H16N6O2S/c1-10(14-20-17-9-22(14)2)18-15(23)16(24)19-13-8-12(21-25-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,23)(H,19,24)/t10-/m1/s1
InChIKeyCSWMQCIDSMQOMI-SNVBAGLBSA-N
MW356.41 g/mol
LogP1.75
Rot. Bonds4

About N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide

N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide (PubChem CID 97257659) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide
PubChem CID97257659
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ns1)c1nncn1C
InChIInChI=1S/C16H16N6O2S/c1-10(14-20-17-9-22(14)2)18-15(23)16(24)19-13-8-12(21-25-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,23)(H,19,24)/t10-/m1/s1
InChIKeyCSWMQCIDSMQOMI-SNVBAGLBSA-N
XLogP1.75
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
CID 86771410
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
CID 62489274
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
3-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbutanamide
CID 122146140
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089227
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114260
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide?
The IUPAC name of N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide (CID 97257659) is N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide.
What is the SMILES notation for N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide?
The canonical SMILES for N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide is C[C@@H](NC(=O)C(=O)Nc1cc(-c2ccccc2)ns1)c1nncn1C.
What is the InChIKey of N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide?
The InChIKey is CSWMQCIDSMQOMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-10(14-20-17-9-22(14)2)18-15(23)16(24)19-13-8-12(21-25-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,23)(H,19,24)/t10-/m1/s1.
What are the key properties of N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide?
N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide has a molecular weight of 356.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-N-(3-phenyl-1,2-thiazol-5-yl)oxamide is sourced from PubChem (CID 97257659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).