2-(1,3-thiazol-5-yl)ethanethioamide

C5H6N2S2 — CID 112640496

IUPAC2-(1,3-thiazol-5-yl)ethanethioamide
SMILESNC(=S)Cc1cncs1
InChIInChI=1S/C5H6N2S2/c6-5(8)1-4-2-7-3-9-4/h2-3H,1H2,(H2,6,8)
InChIKeyXPOKUPURRSWEFK-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.97
Rot. Bonds2

About 2-(1,3-thiazol-5-yl)ethanethioamide

2-(1,3-thiazol-5-yl)ethanethioamide (PubChem CID 112640496) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)ethanethioamide.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)ethanethioamide
PubChem CID112640496
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Name2-(1,3-thiazol-5-yl)ethanethioamide
SMILESNC(=S)Cc1cncs1
InChIInChI=1S/C5H6N2S2/c6-5(8)1-4-2-7-3-9-4/h2-3H,1H2,(H2,6,8)
InChIKeyXPOKUPURRSWEFK-UHFFFAOYSA-N
XLogP0.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
CID 141083640
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
CID 104874351
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)ethanethioamide?
The IUPAC name of 2-(1,3-thiazol-5-yl)ethanethioamide (CID 112640496) is 2-(1,3-thiazol-5-yl)ethanethioamide.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)ethanethioamide?
The canonical SMILES for 2-(1,3-thiazol-5-yl)ethanethioamide is NC(=S)Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)ethanethioamide?
The InChIKey is XPOKUPURRSWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c6-5(8)1-4-2-7-3-9-4/h2-3H,1H2,(H2,6,8).
What are the key properties of 2-(1,3-thiazol-5-yl)ethanethioamide?
2-(1,3-thiazol-5-yl)ethanethioamide has a molecular weight of 158.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)ethanethioamide is sourced from PubChem (CID 112640496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).