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

C9H8N2S3 — CID 82427273

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESCc1nc(-c2cccs2)sc1C(N)=S
InChIInChI=1S/C9H8N2S3/c1-5-7(8(10)12)14-9(11-5)6-3-2-4-13-6/h2-4H,1H3,(H2,10,12)
InChIKeyMPTDVGXGAIMPBA-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.81
Rot. Bonds2

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

4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide (PubChem CID 82427273) has the molecular formula C9H8N2S3 and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
PubChem CID82427273
Molecular FormulaC9H8N2S3
Molecular Weight240.38 g/mol
Exact Mass239.98
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
SMILESCc1nc(-c2cccs2)sc1C(N)=S
InChIInChI=1S/C9H8N2S3/c1-5-7(8(10)12)14-9(11-5)6-3-2-4-13-6/h2-4H,1H3,(H2,10,12)
InChIKeyMPTDVGXGAIMPBA-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.81
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

4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
N-(1-carbamoylcyclohexyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 154738381
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 43015344
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55602184
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide (CID 82427273) is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide is Cc1nc(-c2cccs2)sc1C(N)=S.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
The InChIKey is MPTDVGXGAIMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S3/c1-5-7(8(10)12)14-9(11-5)6-3-2-4-13-6/h2-4H,1H3,(H2,10,12).
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide?
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide has a molecular weight of 240.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82427273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).