N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide

C12H17F3N4O2S — CID 100767989

IUPACN-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
SMILESCN(C)C(C)(C)CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N4O2S/c1-11(2,19(3)4)6-17-8(20)9(21)18-10-16-5-7(22-10)12(13,14)15/h5H,6H2,1-4H3,(H,17,20)(H,16,18,21)
InChIKeyRDJKBDIYKFVDPN-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide

N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide (PubChem CID 100767989) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
PubChem CID100767989
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
SMILESCN(C)C(C)(C)CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N4O2S/c1-11(2,19(3)4)6-17-8(20)9(21)18-10-16-5-7(22-10)12(13,14)15/h5H,6H2,1-4H3,(H,17,20)(H,16,18,21)
InChIKeyRDJKBDIYKFVDPN-UHFFFAOYSA-N
XLogP1.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
CID 167951864
1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
CID 130617285
(Z)-4-[[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]hex-4-en-3-one
CID 123293568
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 138025060
[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 151016388
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 130637982
5-bromo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-4-carboxamide
CID 166258519
ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate
CID 178130924
2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 137362895
(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 156853166

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide (CID 100767989) is N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide is CN(C)C(C)(C)CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is RDJKBDIYKFVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-11(2,19(3)4)6-17-8(20)9(21)18-10-16-5-7(22-10)12(13,14)15/h5H,6H2,1-4H3,(H,17,20)(H,16,18,21).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 338.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 100767989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).