(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

C16H20N2OS — CID 50910532

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H20N2OS/c1-12(2)11-14-5-3-13(4-6-14)7-8-15(19)18-16-17-9-10-20-16/h3-8,12H,9-11H2,1-2H3,(H,17,18,19)/b8-7+
InChIKeyJTCGOCGGHIUYKW-BQYQJAHWSA-N
MW288.42 g/mol
LogP3.12
Rot. Bonds4

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (PubChem CID 50910532) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
PubChem CID50910532
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H20N2OS/c1-12(2)11-14-5-3-13(4-6-14)7-8-15(19)18-16-17-9-10-20-16/h3-8,12H,9-11H2,1-2H3,(H,17,18,19)/b8-7+
InChIKeyJTCGOCGGHIUYKW-BQYQJAHWSA-N
XLogP3.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.12
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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Related Compounds

6-Amino-2-[(4-tert-butylbenzyl)sulfanyl]-4-pyrimidinol
CID 135426471
3-(4-tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
CID 903944
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 50910523
5-(4-ethylbenzylidene)-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 701606
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)acrylamide
CID 897475
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
CID 5416418
Cvf-csc-50
CID 49843106
2-[(2-phenylethyl)thio]-4(3H)-pyrimidinone
CID 1177403
6-Amino-2-[(4-methylbenzyl)thio]-4(3H)-pyrimidinone
CID 135439429
5-(4-isopropylbenzylidene)-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 754702
6-(1-Phenylpropyl)-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402744
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 20831524

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (CID 50910532) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is CC(C)Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The InChIKey is JTCGOCGGHIUYKW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(2)11-14-5-3-13(4-6-14)7-8-15(19)18-16-17-9-10-20-16/h3-8,12H,9-11H2,1-2H3,(H,17,18,19)/b8-7+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide has a molecular weight of 288.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is sourced from PubChem (CID 50910532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).