(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C15H18N2OS — CID 20831524

IUPAC(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C\C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-8,11H,9-10H2,1-2H3,(H,16,17,18)/b8-5-
InChIKeyOHHJNGLKVUGETM-YVMONPNESA-N
MW274.39 g/mol
LogP3.04
Rot. Bonds3

About (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 20831524) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID20831524
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C\C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-8,11H,9-10H2,1-2H3,(H,16,17,18)/b8-5-
InChIKeyOHHJNGLKVUGETM-YVMONPNESA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.04
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 50910532

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 20831524) is (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C\C(=O)NC2=NCCS2)cc1.
What is the InChIKey of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is OHHJNGLKVUGETM-YVMONPNESA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-8,11H,9-10H2,1-2H3,(H,16,17,18)/b8-5-.
What are the key properties of (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 274.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 20831524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).