6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one

C13H18F3N3OS — CID 136535636

IUPAC6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCC(C)N1C(=O)CN(c2ncc(C(F)(F)F)s2)CC1(C)C
InChIInChI=1S/C13H18F3N3OS/c1-8(2)19-10(20)6-18(7-12(19,3)4)11-17-5-9(21-11)13(14,15)16/h5,8H,6-7H2,1-4H3
InChIKeyVCJHXALHFXVLJA-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.00
Rot. Bonds2

About 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one

6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 136535636) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID136535636
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCC(C)N1C(=O)CN(c2ncc(C(F)(F)F)s2)CC1(C)C
InChIInChI=1S/C13H18F3N3OS/c1-8(2)19-10(20)6-18(7-12(19,3)4)11-17-5-9(21-11)13(14,15)16/h5,8H,6-7H2,1-4H3
InChIKeyVCJHXALHFXVLJA-UHFFFAOYSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 137992338
4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 21100293
2-(4-Tert-butylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 59776844
4-(5-Trifluoromethyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67549316
1-Methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
CID 121320449
tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]carbamate
CID 133508855
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133521928
1-[4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 133521953
4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde
CID 175353014
3-Propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 175827574

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one (CID 136535636) is 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one is CC(C)N1C(=O)CN(c2ncc(C(F)(F)F)s2)CC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is VCJHXALHFXVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-8(2)19-10(20)6-18(7-12(19,3)4)11-17-5-9(21-11)13(14,15)16/h5,8H,6-7H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one?
6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 321.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 136535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).