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

C12H12N2O4S — CID 844700

IUPACmethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
InChIInChI=1S/C12H12N2O4S/c1-6-4-5-8(18-6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15)
InChIKeyOXGLMYQYCBGNSL-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.39
Rot. Bonds3

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

methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 844700) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID844700
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
InChIInChI=1S/C12H12N2O4S/c1-6-4-5-8(18-6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15)
InChIKeyOXGLMYQYCBGNSL-UHFFFAOYSA-N
XLogP2.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.39
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 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110461118
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78809104
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 844700) is methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is OXGLMYQYCBGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-4-5-8(18-6)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-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 2.39, 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-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 844700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).