1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H20F4N2OS — CID 103476460

IUPAC1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COCC(F)(F)C(F)F)nc1C(C)(C)C
InChIInChI=1S/C13H20F4N2OS/c1-12(2,3)10-8(5-18-4)21-9(19-10)6-20-7-13(16,17)11(14)15/h11,18H,5-7H2,1-4H3
InChIKeyGIDKYSBLMLTPOS-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103476460) has the molecular formula C13H20F4N2OS and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103476460
Molecular FormulaC13H20F4N2OS
Molecular Weight328.38 g/mol
Exact Mass328.12
IUPAC Name1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COCC(F)(F)C(F)F)nc1C(C)(C)C
InChIInChI=1S/C13H20F4N2OS/c1-12(2,3)10-8(5-18-4)21-9(19-10)6-20-7-13(16,17)11(14)15/h11,18H,5-7H2,1-4H3
InChIKeyGIDKYSBLMLTPOS-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 103476449
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103476411
N-[[4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103476438
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
N-[[4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476490
4-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 103473433
methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
CID 103473424
N-[[4-tert-butyl-2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82439313
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
1-[4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362397
1-[4-tert-butyl-2-(cyclohexylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362326

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103476460) is 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(COCC(F)(F)C(F)F)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is GIDKYSBLMLTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N2OS/c1-12(2,3)10-8(5-18-4)21-9(19-10)6-20-7-13(16,17)11(14)15/h11,18H,5-7H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 328.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103476460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).