(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide

C12H12N2O2S — CID 896849

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccc(C)o2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)6-5-10-4-3-9(2)16-10/h3-7H,1-2H3,(H,13,14,15)/b6-5+
InChIKeyFYUFBWLTXJJOEA-AATRIKPKSA-N
MW248.31 g/mol
LogP3.00
Rot. Bonds3

About (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 896849) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID896849
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccc(C)o2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)6-5-10-4-3-9(2)16-10/h3-7H,1-2H3,(H,13,14,15)/b6-5+
InChIKeyFYUFBWLTXJJOEA-AATRIKPKSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 896577
(2E)-3-(2-furyl)-N-(4-methyl(1,3-thiazol-2-yl))prop-2-enamide
CID 2163560
ethyl 2-[2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 2309599
(E)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2315023
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 2452527
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2933352
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-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 2314252
N-(4-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2679227
N-(4-(2-(5-Nitro-2-furanyl)ethenyl)-2-thiazolyl)acetamide
CID 6433502

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 896849) is (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(NC(=O)/C=C/c2ccc(C)o2)n1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is FYUFBWLTXJJOEA-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)6-5-10-4-3-9(2)16-10/h3-7H,1-2H3,(H,13,14,15)/b6-5+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 248.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).