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

C4H2F3IN2S — CID 22717671

IUPAC5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)1-2(8)11-3(9)10-1/h(H2,9,10)
InChIKeyOUIRKYPQKWDIHQ-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.35
Rot. Bonds

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

5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 22717671) has the molecular formula C4H2F3IN2S and a molecular weight of 294.04 g/mol. Its IUPAC name is 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID22717671
Molecular FormulaC4H2F3IN2S
Molecular Weight294.04 g/mol
Exact Mass293.89
IUPAC Name5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)1-2(8)11-3(9)10-1/h(H2,9,10)
InChIKeyOUIRKYPQKWDIHQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.35
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-amine?
The IUPAC name of 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 22717671) is 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine is Nc1nc(C(F)(F)F)c(I)s1.
What is the InChIKey of 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OUIRKYPQKWDIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3IN2S/c5-4(6,7)1-2(8)11-3(9)10-1/h(H2,9,10).
What are the key properties of 5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 294.04 g/mol, XLogP of 2.35, 0 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-amine is sourced from PubChem (CID 22717671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).