1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H9F3N2OS — CID 106783246

IUPAC1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1ccoc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h2-5,8,14H,1H3
InChIKeyRVABUXZLNIXSHR-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.06
Rot. Bonds3

About 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783246) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783246
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1ccoc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h2-5,8,14H,1H3
InChIKeyRVABUXZLNIXSHR-UHFFFAOYSA-N
XLogP3.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783246) is 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1ccoc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is RVABUXZLNIXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h2-5,8,14H,1H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).