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

C5H4F3IN2S — CID 138552634

IUPAC[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C5H4F3IN2S/c6-5(7,8)3-4(9)12-2(1-10)11-3/h1,10H2
InChIKeyRSABUOOQMSRACG-UHFFFAOYSA-N
MW308.07 g/mol
LogP2.23
Rot. Bonds1

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

[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 138552634) has the molecular formula C5H4F3IN2S and a molecular weight of 308.07 g/mol. Its IUPAC name is [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID138552634
Molecular FormulaC5H4F3IN2S
Molecular Weight308.07 g/mol
Exact Mass307.91
IUPAC Name[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C5H4F3IN2S/c6-5(7,8)3-4(9)12-2(1-10)11-3/h1,10H2
InChIKeyRSABUOOQMSRACG-UHFFFAOYSA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 138552634) is [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(C(F)(F)F)c(I)s1.
What is the InChIKey of [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is RSABUOOQMSRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3IN2S/c6-5(7,8)3-4(9)12-2(1-10)11-3/h1,10H2.
What are the key properties of [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 308.07 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 138552634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).