N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine

C9H12F4N2OS — CID 55077413

IUPACN-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COCC(F)(F)C(F)F)cs1
InChIInChI=1S/C9H12F4N2OS/c1-14-2-7-15-6(4-17-7)3-16-5-9(12,13)8(10)11/h4,8,14H,2-3,5H2,1H3
InChIKeyKVSXYWGUECXARP-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 55077413) has the molecular formula C9H12F4N2OS and a molecular weight of 272.27 g/mol. Its IUPAC name is N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID55077413
Molecular FormulaC9H12F4N2OS
Molecular Weight272.27 g/mol
Exact Mass272.06
IUPAC NameN-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(COCC(F)(F)C(F)F)cs1
InChIInChI=1S/C9H12F4N2OS/c1-14-2-7-15-6(4-17-7)3-16-5-9(12,13)8(10)11/h4,8,14H,2-3,5H2,1H3
InChIKeyKVSXYWGUECXARP-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 55077413) is N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(COCC(F)(F)C(F)F)cs1.
What is the InChIKey of N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is KVSXYWGUECXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2OS/c1-14-2-7-15-6(4-17-7)3-16-5-9(12,13)8(10)11/h4,8,14H,2-3,5H2,1H3.
What are the key properties of N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 272.27 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55077413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).