(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C22H20N4O2S — CID 31171932

IUPAC(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)sc1-c1ccccn1
InChIInChI=1S/C22H20N4O2S/c1-15-21(18-5-2-3-13-23-18)29-22(24-15)25-19(27)12-9-16-7-10-17(11-8-16)26-14-4-6-20(26)28/h2-3,5,7-13H,4,6,14H2,1H3,(H,24,25,27)/b12-9+
InChIKeyPDHRYKBFBQFHAG-FMIVXFBMSA-N
MW404.50 g/mol
LogP4.29
Rot. Bonds5

About (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 31171932) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID31171932
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)sc1-c1ccccn1
InChIInChI=1S/C22H20N4O2S/c1-15-21(18-5-2-3-13-23-18)29-22(24-15)25-19(27)12-9-16-7-10-17(11-8-16)26-14-4-6-20(26)28/h2-3,5,7-13H,4,6,14H2,1H3,(H,24,25,27)/b12-9+
InChIKeyPDHRYKBFBQFHAG-FMIVXFBMSA-N
XLogP4.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17439134
(E)-3-(3-methoxyphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 31171502
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 98850958
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46699334
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 41164403
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24611227
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55528842
N-(2-acetamido-4,5-difluorophenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 76879492
(E)-N-(2-methylsulfonylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60573919

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 31171932) is (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is Cc1nc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)sc1-c1ccccn1.
What is the InChIKey of (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is PDHRYKBFBQFHAG-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-21(18-5-2-3-13-23-18)29-22(24-15)25-19(27)12-9-16-7-10-17(11-8-16)26-14-4-6-20(26)28/h2-3,5,7-13H,4,6,14H2,1H3,(H,24,25,27)/b12-9+.
What are the key properties of (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 404.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 31171932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).