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

C11H10N2O2S — CID 2163560

IUPAC(E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C11H10N2O2S/c1-8-7-16-11(12-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14)/b5-4+
InChIKeyBWPSLDADAAYXLA-SNAWJCMRSA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

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

(E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2163560) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2163560
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C11H10N2O2S/c1-8-7-16-11(12-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14)/b5-4+
InChIKeyBWPSLDADAAYXLA-SNAWJCMRSA-N
XLogP2.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
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

Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate
CID 674924
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
3-(5-methyl-2-furyl)-N-(4-methyl-1,3-thiazol-2-yl)acrylamide
CID 896849
3-Furan-2-yl-N-(4-phenyl-thiazol-2-yl)-acrylamide
CID 1585136
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
(E)-3-(furan-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 701039
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
ethyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 2314252

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 2163560) is (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(NC(=O)/C=C/c2ccco2)n1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is BWPSLDADAAYXLA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-7-16-11(12-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2163560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).