methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate

C12H12N2O3S2 — CID 78808645

IUPACmethyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2sccc2C)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-6-4-5-18-8(6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15)
InChIKeyWJVDWFMHKNEYDC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds3

About methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 78808645) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID78808645
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Namemethyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2sccc2C)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-6-4-5-18-8(6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15)
InChIKeyWJVDWFMHKNEYDC-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 844700
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 7916082
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110461118
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874
methyl 4-methyl-2-[(2-methylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 44922208
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 78808645) is methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2sccc2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WJVDWFMHKNEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-4-5-18-8(6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78808645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).