N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide

C19H18F2N4O2S2 — CID 122149768

IUPACN'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)C(=O)N(Cc3ccccc3)CC(F)F)n2)s1
InChIInChI=1S/C19H18F2N4O2S2/c1-11-16(29-12(2)22-11)14-10-28-19(23-14)24-17(26)18(27)25(9-15(20)21)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyJTTYBTDBAYYXCB-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.12
Rot. Bonds6

About N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide

N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide (PubChem CID 122149768) has the molecular formula C19H18F2N4O2S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide
PubChem CID122149768
Molecular FormulaC19H18F2N4O2S2
Molecular Weight436.51 g/mol
Exact Mass436.08
IUPAC NameN'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide
SMILESCc1nc(C)c(-c2csc(NC(=O)C(=O)N(Cc3ccccc3)CC(F)F)n2)s1
InChIInChI=1S/C19H18F2N4O2S2/c1-11-16(29-12(2)22-11)14-10-28-19(23-14)24-17(26)18(27)25(9-15(20)21)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyJTTYBTDBAYYXCB-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102
1-benzyl-1-(2,2-difluoroethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75379982
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
CID 163515050
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119735206
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 166377921
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]hydrazine
CID 7174025
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide (CID 122149768) is N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide is Cc1nc(C)c(-c2csc(NC(=O)C(=O)N(Cc3ccccc3)CC(F)F)n2)s1.
What is the InChIKey of N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is JTTYBTDBAYYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S2/c1-11-16(29-12(2)22-11)14-10-28-19(23-14)24-17(26)18(27)25(9-15(20)21)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide?
N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 436.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2,2-difluoroethyl)-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 122149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).