2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide

C20H20F6N4O2S — CID 155883491

IUPAC2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3nc(C(F)(F)F)cs3)N2)c1
InChIInChI=1S/C20H20F6N4O2S/c1-9(2)17(32)27-7-10-3-4-12(19(21,22)23)11(5-10)16-28-13(6-15(31)30-16)18-29-14(8-33-18)20(24,25)26/h3-5,8-9,13,16,28H,6-7H2,1-2H3,(H,27,32)(H,30,31)
InChIKeyKUQKTBNKCZJWGN-UHFFFAOYSA-N
MW494.46 g/mol
LogP4.30
Rot. Bonds5

About 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide

2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 155883491) has the molecular formula C20H20F6N4O2S and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID155883491
Molecular FormulaC20H20F6N4O2S
Molecular Weight494.46 g/mol
Exact Mass494.12
IUPAC Name2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3nc(C(F)(F)F)cs3)N2)c1
InChIInChI=1S/C20H20F6N4O2S/c1-9(2)17(32)27-7-10-3-4-12(19(21,22)23)11(5-10)16-28-13(6-15(31)30-16)18-29-14(8-33-18)20(24,25)26/h3-5,8-9,13,16,28H,6-7H2,1-2H3,(H,27,32)(H,30,31)
InChIKeyKUQKTBNKCZJWGN-UHFFFAOYSA-N
XLogP4.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 16216716
2-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 44425254
2-(2-acetamido-1,3-thiazol-4-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]butanamide
CID 44425255
(S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 44425292
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 44425294
3-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-1,1-dimethylurea
CID 9986630
1-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 25110788
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(2-methyl-thiazol-4-yl)-1H-pyrimidine-2,4-dione
CID 44394723
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425241
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425249
N-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)cyclopropanecarboxamide
CID 44425273
Methyl 4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-ylcarbamate
CID 44425279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 155883491) is 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3nc(C(F)(F)F)cs3)N2)c1.
What is the InChIKey of 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KUQKTBNKCZJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N4O2S/c1-9(2)17(32)27-7-10-3-4-12(19(21,22)23)11(5-10)16-28-13(6-15(31)30-16)18-29-14(8-33-18)20(24,25)26/h3-5,8-9,13,16,28H,6-7H2,1-2H3,(H,27,32)(H,30,31).
What are the key properties of 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide?
2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 494.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[4-oxo-6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 155883491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).