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

C13H14N2OS2 — CID 82439956

IUPAC4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(-c2ccccc2C)sc1C(N)=S
InChIInChI=1S/C13H14N2OS2/c1-8-5-3-4-6-9(8)13-15-10(7-16-2)11(18-13)12(14)17/h3-6H,7H2,1-2H3,(H2,14,17)
InChIKeyRYCGZOXNDJAMPR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.90
Rot. Bonds4

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

4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82439956) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
PubChem CID82439956
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(-c2ccccc2C)sc1C(N)=S
InChIInChI=1S/C13H14N2OS2/c1-8-5-3-4-6-9(8)13-15-10(7-16-2)11(18-13)12(14)17/h3-6H,7H2,1-2H3,(H2,14,17)
InChIKeyRYCGZOXNDJAMPR-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82435946
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82441798
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82440690
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
2-isoquinolin-4-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360810
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide (CID 82439956) is 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide is COCc1nc(-c2ccccc2C)sc1C(N)=S.
What is the InChIKey of 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is RYCGZOXNDJAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8-5-3-4-6-9(8)13-15-10(7-16-2)11(18-13)12(14)17/h3-6H,7H2,1-2H3,(H2,14,17).
What are the key properties of 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide?
4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 278.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).