N-(1,3-thiazol-2-yl)ethanethioamide

C5H6N2S2 — CID 5365396

IUPACN-(1,3-thiazol-2-yl)ethanethioamide
SMILESCC(=S)Nc1nccs1
InChIInChI=1S/C5H6N2S2/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
InChIKeyNDIFKYFVRXJHQB-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.90
Rot. Bonds1

About N-(1,3-thiazol-2-yl)ethanethioamide

N-(1,3-thiazol-2-yl)ethanethioamide (PubChem CID 5365396) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)ethanethioamide
PubChem CID5365396
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC NameN-(1,3-thiazol-2-yl)ethanethioamide
SMILESCC(=S)Nc1nccs1
InChIInChI=1S/C5H6N2S2/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
InChIKeyNDIFKYFVRXJHQB-UHFFFAOYSA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 N-(1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of N-(1,3-thiazol-2-yl)ethanethioamide (CID 5365396) is N-(1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)ethanethioamide is CC(=S)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is NDIFKYFVRXJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8).
What are the key properties of N-(1,3-thiazol-2-yl)ethanethioamide?
N-(1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 158.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 5365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).