4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide

C10H10N2S3 — CID 82430275

IUPAC4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(-c2cccs2)sc1C(N)=S
InChIInChI=1S/C10H10N2S3/c1-2-6-8(9(11)13)15-10(12-6)7-4-3-5-14-7/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyIXSQAHKBNCRYKE-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.07
Rot. Bonds3

About 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide

4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide (PubChem CID 82430275) has the molecular formula C10H10N2S3 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
PubChem CID82430275
Molecular FormulaC10H10N2S3
Molecular Weight254.41 g/mol
Exact Mass254.00
IUPAC Name4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(-c2cccs2)sc1C(N)=S
InChIInChI=1S/C10H10N2S3/c1-2-6-8(9(11)13)15-10(12-6)7-4-3-5-14-7/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyIXSQAHKBNCRYKE-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979
4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide
CID 82428114
(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide
CID 143241813
3-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82430286
2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428979
2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430404
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
4-ethyl-2-[(4-ethylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82428859

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide (CID 82430275) is 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide is CCc1nc(-c2cccs2)sc1C(N)=S.
What is the InChIKey of 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The InChIKey is IXSQAHKBNCRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S3/c1-2-6-8(9(11)13)15-10(12-6)7-4-3-5-14-7/h3-5H,2H2,1H3,(H2,11,13).
What are the key properties of 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide has a molecular weight of 254.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82430275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).