2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine

C5H5F3N2S — CID 34175764

IUPAC2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESCc1nc(C(F)(F)F)c(N)s1
InChIInChI=1S/C5H5F3N2S/c1-2-10-3(4(9)11-2)5(6,7)8/h9H2,1H3
InChIKeyFPKAYCVCPPISAS-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.05
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine

2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 34175764) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID34175764
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESCc1nc(C(F)(F)F)c(N)s1
InChIInChI=1S/C5H5F3N2S/c1-2-10-3(4(9)11-2)5(6,7)8/h9H2,1H3
InChIKeyFPKAYCVCPPISAS-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.05
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-amine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine (CID 34175764) is 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine is Cc1nc(C(F)(F)F)c(N)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is FPKAYCVCPPISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-2-10-3(4(9)11-2)5(6,7)8/h9H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 182.17 g/mol, XLogP of 2.05, 0 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-amine is sourced from PubChem (CID 34175764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).