2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol

C4H3F3N2S2 — CID 143136897

IUPAC2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
SMILESNc1nc(C(F)(F)F)c(S)s1
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)1-2(10)11-3(8)9-1/h10H,(H2,8,9)
InChIKeyQOYYUKAMRUAVIJ-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.03
Rot. Bonds

About 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol

2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol (PubChem CID 143136897) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
PubChem CID143136897
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
SMILESNc1nc(C(F)(F)F)c(S)s1
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)1-2(10)11-3(8)9-1/h10H,(H2,8,9)
InChIKeyQOYYUKAMRUAVIJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] thiocyanate
CID 22717672
[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate
CID 87241004
prop-2-ynyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 20557022
4-tert-butyl-1,3-thiazole-2,5-diamine
CID 82342196
5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 157486988
5-bromo-4-tert-butyl-1,3-thiazol-2-amine
CID 729135
4,5-ditert-butyl-1,3-thiazol-2-amine
CID 131164167
5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide
CID 67411337
CID 162597724
CID 162597724
4-(trifluoromethyl)-1,3-oxazole-2,5-diamine
CID 69333844
5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 84783642
[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
CID 91926726

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol?
The IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol (CID 143136897) is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol?
The canonical SMILES for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol is Nc1nc(C(F)(F)F)c(S)s1.
What is the InChIKey of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol?
The InChIKey is QOYYUKAMRUAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c5-4(6,7)1-2(10)11-3(8)9-1/h10H,(H2,8,9).
What are the key properties of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol?
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol has a molecular weight of 200.21 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol is sourced from PubChem (CID 143136897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).