2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide

C9H12N2OS2 — CID 65497674

IUPAC2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(Cn2ccsc2=O)CC1
InChIInChI=1S/C9H12N2OS2/c10-7(13)5-9(1-2-9)6-11-3-4-14-8(11)12/h3-4H,1-2,5-6H2,(H2,10,13)
InChIKeyIMQYEVKATMEYMT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.37
Rot. Bonds4

About 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65497674) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65497674
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(Cn2ccsc2=O)CC1
InChIInChI=1S/C9H12N2OS2/c10-7(13)5-9(1-2-9)6-11-3-4-14-8(11)12/h3-4H,1-2,5-6H2,(H2,10,13)
InChIKeyIMQYEVKATMEYMT-UHFFFAOYSA-N
XLogP1.37
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide (CID 65497674) is 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide is NC(=S)CC1(Cn2ccsc2=O)CC1.
What is the InChIKey of 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is IMQYEVKATMEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c10-7(13)5-9(1-2-9)6-11-3-4-14-8(11)12/h3-4H,1-2,5-6H2,(H2,10,13).
What are the key properties of 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 228.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxo-1,3-thiazol-3-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65497674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).