(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

C19H15ClN2OS — CID 90626298

IUPAC(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H15ClN2OS/c1-13-21-18(12-24-13)16-4-2-3-5-17(16)22-19(23)11-8-14-6-9-15(20)10-7-14/h2-12H,1H3,(H,22,23)/b11-8+
InChIKeyOOGCTFDNBVBRSW-DHZHZOJOSA-N
MW354.86 g/mol
LogP5.42
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (PubChem CID 90626298) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
PubChem CID90626298
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H15ClN2OS/c1-13-21-18(12-24-13)16-4-2-3-5-17(16)22-19(23)11-8-14-6-9-15(20)10-7-14/h2-12H,1H3,(H,22,23)/b11-8+
InChIKeyOOGCTFDNBVBRSW-DHZHZOJOSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (CID 90626298) is (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cs1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is OOGCTFDNBVBRSW-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13-21-18(12-24-13)16-4-2-3-5-17(16)22-19(23)11-8-14-6-9-15(20)10-7-14/h2-12H,1H3,(H,22,23)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 354.86 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 90626298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).