(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C19H21N3O2S — CID 1468316

IUPAC(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O2S/c1-14-17(18(24)22-12-6-3-7-13-22)25-19(20-14)21-16(23)11-10-15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H,20,21,23)/b11-10+
InChIKeyLLWDWAJULFQQHS-ZHACJKMWSA-N
MW355.46 g/mol
LogP3.73
Rot. Bonds4

About (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 1468316) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID1468316
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O2S/c1-14-17(18(24)22-12-6-3-7-13-22)25-19(20-14)21-16(23)11-10-15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H,20,21,23)/b11-10+
InChIKeyLLWDWAJULFQQHS-ZHACJKMWSA-N
XLogP3.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 1468316) is (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N1CCCCC1.
What is the InChIKey of (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is LLWDWAJULFQQHS-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-17(18(24)22-12-6-3-7-13-22)25-19(20-14)21-16(23)11-10-15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H,20,21,23)/b11-10+.
What are the key properties of (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 355.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1468316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).