(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide

C19H16ClN3OS — CID 75405148

IUPAC(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1sc(CNC(=O)/C=C/c2ccncc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3OS/c1-13-19(15-3-5-16(20)6-4-15)23-18(25-13)12-22-17(24)7-2-14-8-10-21-11-9-14/h2-11H,12H2,1H3,(H,22,24)/b7-2+
InChIKeyTVXSRIWUKSQXAX-FARCUNLSSA-N
MW369.88 g/mol
LogP4.50
Rot. Bonds5

About (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 75405148) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID75405148
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1sc(CNC(=O)/C=C/c2ccncc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3OS/c1-13-19(15-3-5-16(20)6-4-15)23-18(25-13)12-22-17(24)7-2-14-8-10-21-11-9-14/h2-11H,12H2,1H3,(H,22,24)/b7-2+
InChIKeyTVXSRIWUKSQXAX-FARCUNLSSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.50
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-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide (CID 75405148) is (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide is Cc1sc(CNC(=O)/C=C/c2ccncc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is TVXSRIWUKSQXAX-FARCUNLSSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-13-19(15-3-5-16(20)6-4-15)23-18(25-13)12-22-17(24)7-2-14-8-10-21-11-9-14/h2-11H,12H2,1H3,(H,22,24)/b7-2+.
What are the key properties of (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 369.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 75405148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).