2-ethyl-1,3-thiazole-5-carbothioamide

C6H8N2S2 — CID 82514753

IUPAC2-ethyl-1,3-thiazole-5-carbothioamide
SMILESCCc1ncc(C(N)=S)s1
InChIInChI=1S/C6H8N2S2/c1-2-5-8-3-4(10-5)6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyUZBOXKUSRQPENK-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.34
Rot. Bonds2

About 2-ethyl-1,3-thiazole-5-carbothioamide

2-ethyl-1,3-thiazole-5-carbothioamide (PubChem CID 82514753) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-5-carbothioamide
PubChem CID82514753
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-ethyl-1,3-thiazole-5-carbothioamide
SMILESCCc1ncc(C(N)=S)s1
InChIInChI=1S/C6H8N2S2/c1-2-5-8-3-4(10-5)6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyUZBOXKUSRQPENK-UHFFFAOYSA-N
XLogP1.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.34
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-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
CID 82422332
2-[(4-tert-butylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422837
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbothioamide
CID 82424997
2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423853
2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48571043

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-ethyl-1,3-thiazole-5-carbothioamide (CID 82514753) is 2-ethyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-ethyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-ethyl-1,3-thiazole-5-carbothioamide is CCc1ncc(C(N)=S)s1.
What is the InChIKey of 2-ethyl-1,3-thiazole-5-carbothioamide?
The InChIKey is UZBOXKUSRQPENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-2-5-8-3-4(10-5)6(7)9/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 2-ethyl-1,3-thiazole-5-carbothioamide?
2-ethyl-1,3-thiazole-5-carbothioamide has a molecular weight of 172.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82514753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).