methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate

C12H11NO2S2 — CID 116966354

IUPACmethyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(SC)cc2)cs1
InChIInChI=1S/C12H11NO2S2/c1-15-12(14)11-13-10(7-17-11)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3
InChIKeyASMCJTGYMTVFTD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.32
Rot. Bonds3

About methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate

methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate (PubChem CID 116966354) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
PubChem CID116966354
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Namemethyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(SC)cc2)cs1
InChIInChI=1S/C12H11NO2S2/c1-15-12(14)11-13-10(7-17-11)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3
InChIKeyASMCJTGYMTVFTD-UHFFFAOYSA-N
XLogP3.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966681
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate (CID 116966354) is methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate is COC(=O)c1nc(-c2ccc(SC)cc2)cs1.
What is the InChIKey of methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate?
The InChIKey is ASMCJTGYMTVFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-15-12(14)11-13-10(7-17-11)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3.
What are the key properties of methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate?
methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116966354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).