methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

C14H14N2O4S — CID 898768

IUPACmethyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)nc1C
InChIInChI=1S/C14H14N2O4S/c1-8-4-5-10(20-8)6-7-11(17)16-14-15-9(2)12(21-14)13(18)19-3/h4-7H,1-3H3,(H,15,16,17)/b7-6+
InChIKeyBNCXYFFLKDHSRU-VOTSOKGWSA-N
MW306.34 g/mol
LogP2.79
Rot. Bonds4

About methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 898768) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID898768
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)nc1C
InChIInChI=1S/C14H14N2O4S/c1-8-4-5-10(20-8)6-7-11(17)16-14-15-9(2)12(21-14)13(18)19-3/h4-7H,1-3H3,(H,15,16,17)/b7-6+
InChIKeyBNCXYFFLKDHSRU-VOTSOKGWSA-N
XLogP2.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate (CID 898768) is methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BNCXYFFLKDHSRU-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-4-5-10(20-8)6-7-11(17)16-14-15-9(2)12(21-14)13(18)19-3/h4-7H,1-3H3,(H,15,16,17)/b7-6+.
What are the key properties of methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).