(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide

C17H15N3OS2 — CID 97359861

IUPAC(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C\c1ccsc1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3OS2/c1-12(19-16(21)5-4-13-6-8-22-10-13)17-20-15(11-23-17)14-3-2-7-18-9-14/h2-12H,1H3,(H,19,21)/b5-4-/t12-/m1/s1
InChIKeyQNJIKFSIIVXQKR-QMAVJUDZSA-N
MW341.46 g/mol
LogP4.16
Rot. Bonds5

About (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide

(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 97359861) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID97359861
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C\c1ccsc1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3OS2/c1-12(19-16(21)5-4-13-6-8-22-10-13)17-20-15(11-23-17)14-3-2-7-18-9-14/h2-12H,1H3,(H,19,21)/b5-4-/t12-/m1/s1
InChIKeyQNJIKFSIIVXQKR-QMAVJUDZSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.16
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-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
(E)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86936040
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 103599320
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 86936041
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 103599303
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
CID 166293905
2,6-difluoro-N-[3-methyl-1-oxo-1-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-2-yl]benzamide
CID 86945599
(E)-3-(4-aminophenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 115344286
3-(5-bromothiophen-3-yl)-N-(1-pyridin-3-ylethyl)prop-2-enamide
CID 71875706
N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 86945543
N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 86933101

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide (CID 97359861) is (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide is C[C@@H](NC(=O)/C=C\c1ccsc1)c1nc(-c2cccnc2)cs1.
What is the InChIKey of (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is QNJIKFSIIVXQKR-QMAVJUDZSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-12(19-16(21)5-4-13-6-8-22-10-13)17-20-15(11-23-17)14-3-2-7-18-9-14/h2-12H,1H3,(H,19,21)/b5-4-/t12-/m1/s1.
What are the key properties of (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 97359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).