5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H17F3N2S — CID 107153828

IUPAC5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)(F)F)S1
InChIInChI=1S/C10H17F3N2S/c1-9(2,3)4-7-5-14-8(16-7)15-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyPEBVUNJYAFAVRL-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.05
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153828) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153828
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCC(F)(F)F)S1
InChIInChI=1S/C10H17F3N2S/c1-9(2,3)4-7-5-14-8(16-7)15-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyPEBVUNJYAFAVRL-UHFFFAOYSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 57177793
5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219327
5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249861
5,5-diethyl-N-(3,3,3-trifluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250844
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(4,4,4-trifluorobutyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251300
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153828) is 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCC(F)(F)F)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PEBVUNJYAFAVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-9(2,3)4-7-5-14-8(16-7)15-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).