N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide

C13H21N3O2S — CID 47263950

IUPACN',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H21N3O2S/c1-9(2)7-16(8-10(3)4)12(18)11(17)15-13-14-5-6-19-13/h5-6,9-10H,7-8H2,1-4H3,(H,14,15,17)
InChIKeyYUPPXCDMGNOVPG-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.22
Rot. Bonds5

About N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide

N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide (PubChem CID 47263950) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
PubChem CID47263950
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H21N3O2S/c1-9(2)7-16(8-10(3)4)12(18)11(17)15-13-14-5-6-19-13/h5-6,9-10H,7-8H2,1-4H3,(H,14,15,17)
InChIKeyYUPPXCDMGNOVPG-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.22
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

2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 174565601
3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 4550970
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 3412435
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17190991
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide (CID 47263950) is N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)Nc1nccs1.
What is the InChIKey of N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide?
The InChIKey is YUPPXCDMGNOVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)7-16(8-10(3)4)12(18)11(17)15-13-14-5-6-19-13/h5-6,9-10H,7-8H2,1-4H3,(H,14,15,17).
What are the key properties of N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide?
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide has a molecular weight of 283.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 47263950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).