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

C12H12N2S2 — CID 82425828

IUPAC4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCc1ccc(-c2nc(C)c(C(N)=S)s2)cc1
InChIInChI=1S/C12H12N2S2/c1-7-3-5-9(6-4-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyREOLRUVAUJXYDO-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.06
Rot. Bonds2

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

4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82425828) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
PubChem CID82425828
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCc1ccc(-c2nc(C)c(C(N)=S)s2)cc1
InChIInChI=1S/C12H12N2S2/c1-7-3-5-9(6-4-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15)
InChIKeyREOLRUVAUJXYDO-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.06
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

4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427144
4-amino-2-phenyl-1,3-thiazole-5-carbothioamide
CID 12526355
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
3-(diethylamino)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-1-one
CID 10018679
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide (CID 82425828) is 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide is Cc1ccc(-c2nc(C)c(C(N)=S)s2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is REOLRUVAUJXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-7-3-5-9(6-4-7)12-14-8(2)10(16-12)11(13)15/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide?
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 248.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82425828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).