potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide

C7H8BF3KNS2 — CID 106746955

IUPACpotassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide
SMILESC=C(CSc1nc(C)cs1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H8BF3NS2.K/c1-5(8(9,10)11)3-13-7-12-6(2)4-14-7;/h4H,1,3H2,2H3;/q-1;+1
InChIKeyRRRPUVLOJTZGJW-UHFFFAOYSA-N
MW277.19 g/mol
LogP0.49
Rot. Bonds4

About potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide (PubChem CID 106746955) has the molecular formula C7H8BF3KNS2 and a molecular weight of 277.19 g/mol. Its IUPAC name is potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide
PubChem CID106746955
Molecular FormulaC7H8BF3KNS2
Molecular Weight277.19 g/mol
Exact Mass276.98
IUPAC Namepotassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide
SMILESC=C(CSc1nc(C)cs1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H8BF3NS2.K/c1-5(8(9,10)11)3-13-7-12-6(2)4-14-7;/h4H,1,3H2,2H3;/q-1;+1
InChIKeyRRRPUVLOJTZGJW-UHFFFAOYSA-N
XLogP0.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
trifluoro-[3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylprop-1-en-2-yl]boranuide
CID 106747056
[(3S)-3-cyano-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-oxopent-1-en-2-yl]azanium
CID 7042789
1-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]cyclopentan-1-ol
CID 65213237
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 39968583
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4815457
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2092522

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide (CID 106746955) is potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide is C=C(CSc1nc(C)cs1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide?
The InChIKey is RRRPUVLOJTZGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BF3NS2.K/c1-5(8(9,10)11)3-13-7-12-6(2)4-14-7;/h4H,1,3H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide has a molecular weight of 277.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).