3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide

C14H15F3N4O2S2 — CID 11349873

IUPAC3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CC(F)(F)F)n2)s1
InChIInChI=1S/C14H15F3N4O2S2/c1-7(2)9-5-18-12(25-9)20-10(22)3-8-6-24-13(19-8)21-11(23)4-14(15,16)17/h5-7H,3-4H2,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeyNKMGDWUXHNBHHQ-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.80
Rot. Bonds6

About 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide

3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 11349873) has the molecular formula C14H15F3N4O2S2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID11349873
Molecular FormulaC14H15F3N4O2S2
Molecular Weight392.43 g/mol
Exact Mass392.06
IUPAC Name3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CC(F)(F)F)n2)s1
InChIInChI=1S/C14H15F3N4O2S2/c1-7(2)9-5-18-12(25-9)20-10(22)3-8-6-24-13(19-8)21-11(23)4-14(15,16)17/h5-7H,3-4H2,1-2H3,(H,18,20,22)(H,19,21,23)
InChIKeyNKMGDWUXHNBHHQ-UHFFFAOYSA-N
XLogP3.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17595210
2-(2-acetamidothiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49679332
2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide
CID 11211132
2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 11293282
2-[2-[(2-fluoroacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 11739377
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508580
N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133509170
2-[[2-(2-Ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
CID 166407541
2-[[4-[2-[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 167897307
Ethyl (4-(2-((5-methylthiazol-2-yl)amino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 45503639
2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 9905320
Tert-butyl 4-{2-[(5-isopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl)-1,3-thiazol-2-ylcarbamate
CID 9929892

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 11349873) is 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CC(F)(F)F)n2)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is NKMGDWUXHNBHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S2/c1-7(2)9-5-18-12(25-9)20-10(22)3-8-6-24-13(19-8)21-11(23)4-14(15,16)17/h5-7H,3-4H2,1-2H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 392.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11349873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).