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

C11H10N2O4S — CID 18103755

IUPACmethyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C11H10N2O4S/c1-6-7(3-4-17-6)9(14)13-11-12-5-8(18-11)10(15)16-2/h3-5H,1-2H3,(H,12,13,14)
InChIKeyZSLSJKWHENZDFN-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.08
Rot. Bonds3

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

methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103755) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID18103755
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C11H10N2O4S/c1-6-7(3-4-17-6)9(14)13-11-12-5-8(18-11)10(15)16-2/h3-5H,1-2H3,(H,12,13,14)
InChIKeyZSLSJKWHENZDFN-UHFFFAOYSA-N
XLogP2.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47046903
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 18103755) is methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccoc2C)s1.
What is the InChIKey of methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZSLSJKWHENZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-6-7(3-4-17-6)9(14)13-11-12-5-8(18-11)10(15)16-2/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).