4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C10H15F3N2OS — CID 114181359

IUPAC4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CCCC(F)(F)F)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15F3N2OS/c1-7(3-2-4-10(11,12)13)14-5-8-6-17-9(16)15-8/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyKAEQUWIUZICKEN-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.65
Rot. Bonds6

About 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181359) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID114181359
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CCCC(F)(F)F)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15F3N2OS/c1-7(3-2-4-10(11,12)13)14-5-8-6-17-9(16)15-8/h6-7,14H,2-5H2,1H3,(H,15,16)
InChIKeyKAEQUWIUZICKEN-UHFFFAOYSA-N
XLogP2.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379917
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380292
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181255
4-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181363
4-[1,5-bis(methylamino)pentyl]-3H-1,3-thiazol-2-one;ethane
CID 144233749
4-[(butan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113137
4-(1-aminopentyl)-3H-1,3-thiazol-2-one
CID 103113182

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 114181359) is 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(CCCC(F)(F)F)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KAEQUWIUZICKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7(3-2-4-10(11,12)13)14-5-8-6-17-9(16)15-8/h6-7,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 268.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).