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

C6H7F3N2S — CID 3353222

IUPACN-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-10-2-5-11-4(3-12-5)6(7,8)9/h3,10H,2H2,1H3
InChIKeyPMTAJXFTZWVRGZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.88
Rot. Bonds2

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

N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3353222) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3353222
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC NameN-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S/c1-10-2-5-11-4(3-12-5)6(7,8)9/h3,10H,2H2,1H3
InChIKeyPMTAJXFTZWVRGZ-UHFFFAOYSA-N
XLogP1.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 3353222) is N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is PMTAJXFTZWVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-10-2-5-11-4(3-12-5)6(7,8)9/h3,10H,2H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 196.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).