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

C10H13F3N4O2S — CID 100768006

IUPACN-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N4O2S/c1-17(2)4-3-14-7(18)8(19)16-9-15-5-6(20-9)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyFLUHWQGJVSMYJH-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.78
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide (PubChem CID 100768006) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
PubChem CID100768006
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N4O2S/c1-17(2)4-3-14-7(18)8(19)16-9-15-5-6(20-9)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyFLUHWQGJVSMYJH-UHFFFAOYSA-N
XLogP0.78
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide (CID 100768006) is N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide is CN(C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is FLUHWQGJVSMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-17(2)4-3-14-7(18)8(19)16-9-15-5-6(20-9)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 310.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 100768006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).