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

C10H6Cl2N2S2 — CID 82424314

IUPAC2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide
SMILESNC(=S)c1cnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H6Cl2N2S2/c11-5-1-2-6(7(12)3-5)10-14-4-8(16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyQKJHPNYYBBQCNZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.75
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82424314) has the molecular formula C10H6Cl2N2S2 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide
PubChem CID82424314
Molecular FormulaC10H6Cl2N2S2
Molecular Weight289.21 g/mol
Exact Mass287.93
IUPAC Name2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide
SMILESNC(=S)c1cnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H6Cl2N2S2/c11-5-1-2-6(7(12)3-5)10-14-4-8(16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyQKJHPNYYBBQCNZ-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.75
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-chlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82422528
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82191246
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427144
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643980
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
CID 115488843
4-chloro-2-(2,4-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 87158194
2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 118091306
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide (CID 82424314) is 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide is NC(=S)c1cnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is QKJHPNYYBBQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S2/c11-5-1-2-6(7(12)3-5)10-14-4-8(16-10)9(13)15/h1-4H,(H2,13,15).
What are the key properties of 2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide?
2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 289.21 g/mol, XLogP of 3.75, 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)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82424314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).