2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C10H11F3N2OS2 — CID 106212667

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2OS2/c1-5-6(18-8(17)14-5)4-7(16)15-9(2-3-9)10(11,12)13/h2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyBKGDGACJKHFYPV-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 106212667) has the molecular formula C10H11F3N2OS2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID106212667
Molecular FormulaC10H11F3N2OS2
Molecular Weight296.34 g/mol
Exact Mass296.03
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2OS2/c1-5-6(18-8(17)14-5)4-7(16)15-9(2-3-9)10(11,12)13/h2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyBKGDGACJKHFYPV-UHFFFAOYSA-N
XLogP2.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 106212667) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is BKGDGACJKHFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS2/c1-5-6(18-8(17)14-5)4-7(16)15-9(2-3-9)10(11,12)13/h2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 296.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106212667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).