(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide

C20H17N3O2S — CID 87722103

IUPAC(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-13-25-17-6-3-15(4-7-17)5-8-19(24)23-20-22-18(14-26-20)16-9-11-21-12-10-16/h2-12,14H,1,13H2,(H,22,23,24)/b8-5-
InChIKeyGCMXHHJKPIDWGW-YVMONPNESA-N
MW363.44 g/mol
LogP4.42
Rot. Bonds7

About (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 87722103) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID87722103
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-13-25-17-6-3-15(4-7-17)5-8-19(24)23-20-22-18(14-26-20)16-9-11-21-12-10-16/h2-12,14H,1,13H2,(H,22,23,24)/b8-5-
InChIKeyGCMXHHJKPIDWGW-YVMONPNESA-N
XLogP4.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713
3-(4-methylsulfanylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5126698
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
(E)-3-[4-(2,2-difluoroethoxy)phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 57484961
(Z)-3-(4-bromophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722892
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-(4,4,4-trifluorobutoxy)phenyl]prop-2-enamide
CID 76542037
3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4192779
3-(4-methylphenyl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3315270
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756853
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 5203328
(E)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylsulfanylphenyl)methoxy]phenyl]prop-2-enamide
CID 87722661

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 87722103) is (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide is C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is GCMXHHJKPIDWGW-YVMONPNESA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-13-25-17-6-3-15(4-7-17)5-8-19(24)23-20-22-18(14-26-20)16-9-11-21-12-10-16/h2-12,14H,1,13H2,(H,22,23,24)/b8-5-.
What are the key properties of (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 363.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 87722103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).