(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

C19H15N3O2S — CID 9335105

IUPAC(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccco3)n2)c1
InChIInChI=1S/C19H15N3O2S/c1-12-5-6-13(2)16(8-12)17-11-25-19(21-17)22-18(23)14(10-20)9-15-4-3-7-24-15/h3-9,11H,1-2H3,(H,21,22,23)/b14-9+
InChIKeyAVJROOPFRQTOHB-NTEUORMPSA-N
MW349.42 g/mol
LogP4.57
Rot. Bonds4

About (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 9335105) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID9335105
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccco3)n2)c1
InChIInChI=1S/C19H15N3O2S/c1-12-5-6-13(2)16(8-12)17-11-25-19(21-17)22-18(23)14(10-20)9-15-4-3-7-24-15/h3-9,11H,1-2H3,(H,21,22,23)/b14-9+
InChIKeyAVJROOPFRQTOHB-NTEUORMPSA-N
XLogP4.57
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 19195554
(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 9335137
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19195464
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
(E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8827673
(E)-2-cyano-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1186638
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
(Z)-2-cyano-3-(furan-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17373427

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (CID 9335105) is (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3ccco3)n2)c1.
What is the InChIKey of (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is AVJROOPFRQTOHB-NTEUORMPSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-5-6-13(2)16(8-12)17-11-25-19(21-17)22-18(23)14(10-20)9-15-4-3-7-24-15/h3-9,11H,1-2H3,(H,21,22,23)/b14-9+.
What are the key properties of (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 349.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 9335105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).