[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C6H7F3N2S — CID 53302302

IUPAC[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C6H7F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h2,10H2,1H3
InChIKeyOHBCFZNSHHHITQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.93
Rot. Bonds1

About [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 53302302) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID53302302
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C6H7F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h2,10H2,1H3
InChIKeyOHBCFZNSHHHITQ-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 53302302) is [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1nc(C(F)(F)F)c(CN)s1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OHBCFZNSHHHITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h2,10H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 196.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 53302302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).