prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C13H12N2O4S — CID 2138175

IUPACprop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C13H12N2O4S/c1-3-6-19-12(17)10-8(2)14-13(20-10)15-11(16)9-5-4-7-18-9/h3-5,7H,1,6H2,2H3,(H,14,15,16)
InChIKeyWAVIPEVMNVXIGR-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.64
Rot. Bonds5

About prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2138175) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2138175
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Nameprop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C13H12N2O4S/c1-3-6-19-12(17)10-8(2)14-13(20-10)15-11(16)9-5-4-7-18-9/h3-5,7H,1,6H2,2H3,(H,14,15,16)
InChIKeyWAVIPEVMNVXIGR-UHFFFAOYSA-N
XLogP2.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate
CID 674924
2-(2-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21911271
N-(5-Acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
CID 896250
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
CID 4653584
2-(Furan-2-carboxamido)-4-methylthiazole-5-carboxylic acid
CID 1433387
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-furamide
CID 843094
methyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-N-2-furoylalaninate
CID 3236054
2-[(Furan-2-carbonyl)-amino]-4-methyl-thiazole-5-carboxylic acid (4-bromo-phenyl)-amide
CID 650753
N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
2-{[(2-furoylamino)carbothioyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
Ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 672646
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 698455

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 2138175) is prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C.
What is the InChIKey of prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is WAVIPEVMNVXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-3-6-19-12(17)10-8(2)14-13(20-10)15-11(16)9-5-4-7-18-9/h3-5,7H,1,6H2,2H3,(H,14,15,16).
What are the key properties of prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2138175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).