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

C12H12N2O4S — CID 897120

IUPACmethyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccoc2C)nc1C
InChIInChI=1S/C12H12N2O4S/c1-6-9(11(16)17-3)19-12(13-6)14-10(15)8-4-5-18-7(8)2/h4-5H,1-3H3,(H,13,14,15)
InChIKeyXYDGALZNXVYBJO-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.39
Rot. Bonds3

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

methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 897120) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID897120
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccoc2C)nc1C
InChIInChI=1S/C12H12N2O4S/c1-6-9(11(16)17-3)19-12(13-6)14-10(15)8-4-5-18-7(8)2/h4-5H,1-3H3,(H,13,14,15)
InChIKeyXYDGALZNXVYBJO-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

Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 896577
Prop-2-enyl 2-(2-furylcarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2138175
Ethyl 2-{[(2-furoylamino)carbonothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2293436
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 2452527
Ethyl 2-(2-methoxybenzamido)-4-methylthiazole-5-carboxylate
CID 3429885
Methyl 2-(furan-2-amido)-4-methyl-1,3-thiazole-5-carboxylate
CID 698162
Ethyl 2-(furan-2-carboxamido)-4-methylthiazole-5-carboxylate
CID 673694
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 898753
Methyl 4-methyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-1,3-thiazole-5-carboxylate
CID 898768
Ethyl {2-[(2-methyl-3-furoyl)amino]-1,3-thiazol-4-yl}acetate
CID 1247675
Methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 2809559

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 897120) is methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XYDGALZNXVYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-9(11(16)17-3)19-12(13-6)14-10(15)8-4-5-18-7(8)2/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-methylfuran-3-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-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 897120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).