(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

C17H13ClN2O2S — CID 726241

IUPAC(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C17H13ClN2O2S/c18-15-6-2-1-4-12(15)10-14-11-19-17(23-14)20-16(21)8-7-13-5-3-9-22-13/h1-9,11H,10H2,(H,19,20,21)/b8-7+
InChIKeyFZFLCOKJOXBKQN-BQYQJAHWSA-N
MW344.82 g/mol
LogP4.63
Rot. Bonds5

About (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 726241) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID726241
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C17H13ClN2O2S/c18-15-6-2-1-4-12(15)10-14-11-19-17(23-14)20-16(21)8-7-13-5-3-9-22-13/h1-9,11H,10H2,(H,19,20,21)/b8-7+
InChIKeyFZFLCOKJOXBKQN-BQYQJAHWSA-N
XLogP4.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.63
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-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5122314
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
(E)-3-(furan-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 726250
(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 6058474
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3326554
3-(4-chlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 4229329
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
CID 60779121
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 126773295

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (CID 726241) is (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FZFLCOKJOXBKQN-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-15-6-2-1-4-12(15)10-14-11-19-17(23-14)20-16(21)8-7-13-5-3-9-22-13/h1-9,11H,10H2,(H,19,20,21)/b8-7+.
What are the key properties of (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 344.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 726241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).