5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H19F3N2OS — CID 107154415

IUPAC5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C11H19F3N2OS/c1-8(2)5-9-6-16-10(18-9)15-3-4-17-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyWOKFHBUELPCRHD-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.67
Rot. Bonds6

About 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154415) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154415
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C11H19F3N2OS/c1-8(2)5-9-6-16-10(18-9)15-3-4-17-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyWOKFHBUELPCRHD-UHFFFAOYSA-N
XLogP2.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63827565
5-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63828097
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035435
N-[2-(2,2-difluoroethoxy)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105916872
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916886
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916890
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916893
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906
5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106250918

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154415) is 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCCOCC(F)(F)F)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WOKFHBUELPCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-8(2)5-9-6-16-10(18-9)15-3-4-17-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).