N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H9F3N2OS — CID 133382427

IUPACN-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(Cc1ccco1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H9F3N2OS/c1-15(5-7-3-2-4-16-7)9-14-8(6-17-9)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyIFELCXJPUSRIOQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.39
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133382427) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133382427
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(Cc1ccco1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H9F3N2OS/c1-15(5-7-3-2-4-16-7)9-14-8(6-17-9)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyIFELCXJPUSRIOQ-UHFFFAOYSA-N
XLogP3.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133382427) is N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CN(Cc1ccco1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is IFELCXJPUSRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-15(5-7-3-2-4-16-7)9-14-8(6-17-9)10(11,12)13/h2-4,6H,5H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 262.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133382427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).