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

C12H12N2O2S — CID 2673021

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ncc(C)s2)o1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(16-8)5-6-11(15)14-12-13-7-9(2)17-12/h3-7H,1-2H3,(H,13,14,15)/b6-5+
InChIKeyPRFUNNHVZVUDIV-AATRIKPKSA-N
MW248.31 g/mol
LogP3.00
Rot. Bonds3

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

(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2673021) 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-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2673021
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ncc(C)s2)o1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-10(16-8)5-6-11(15)14-12-13-7-9(2)17-12/h3-7H,1-2H3,(H,13,14,15)/b6-5+
InChIKeyPRFUNNHVZVUDIV-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

5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 686340
(E)-3-(5-bromofuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2116524
(E)-3-(5-bromofuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2314813
N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 770997
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 896577
5-methyl-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 1246896
(E)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2315023
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 750961
(E)-3-(furan-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 2180009
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
N-(5-ethylthiazol-2-yl)-4-phenoxy-butanamide
CID 145420081
3-(5-Ethyl-furan-2-yl)-N-thiazol-2-yl-propionamide
CID 652739

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 2673021) is (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ncc(C)s2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is PRFUNNHVZVUDIV-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-4-10(16-8)5-6-11(15)14-12-13-7-9(2)17-12/h3-7H,1-2H3,(H,13,14,15)/b6-5+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(5-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-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2673021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).