2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide

C11H8Cl2N2S2 — CID 82427144

IUPAC2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCc1nc(-c2ccc(Cl)cc2Cl)sc1C(N)=S
InChIInChI=1S/C11H8Cl2N2S2/c1-5-9(10(14)16)17-11(15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H2,14,16)
InChIKeyDOSXJMHQHNTAQY-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide

2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide (PubChem CID 82427144) has the molecular formula C11H8Cl2N2S2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
PubChem CID82427144
Molecular FormulaC11H8Cl2N2S2
Molecular Weight303.24 g/mol
Exact Mass301.95
IUPAC Name2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCc1nc(-c2ccc(Cl)cc2Cl)sc1C(N)=S
InChIInChI=1S/C11H8Cl2N2S2/c1-5-9(10(14)16)17-11(15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H2,14,16)
InChIKeyDOSXJMHQHNTAQY-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.06
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-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745206
2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82424314
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59337760
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 158922091
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
3-(2,4-dichlorophenyl)-1,4-dimethylpyrazole-5-carbothioamide
CID 86198516

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide (CID 82427144) is 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide is Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(N)=S.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The InChIKey is DOSXJMHQHNTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S2/c1-5-9(10(14)16)17-11(15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H2,14,16).
What are the key properties of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide?
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide has a molecular weight of 303.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82427144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).