(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

C20H26N4OS2 — CID 97433371

IUPAC(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCCN(CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1
InChIInChI=1S/C20H26N4OS2/c1-5-23(6-2)18(16-9-10-26-13-16)11-21-19(25)8-7-17-15(4)22-20-24(17)12-14(3)27-20/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,21,25)/b8-7-/t18-/m1/s1
InChIKeyLDXMHBLERWMAHX-JTHGQSKGSA-N
MW402.59 g/mol
LogP4.29
Rot. Bonds8

About (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 97433371) has the molecular formula C20H26N4OS2 and a molecular weight of 402.59 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID97433371
Molecular FormulaC20H26N4OS2
Molecular Weight402.59 g/mol
Exact Mass402.15
IUPAC Name(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCCN(CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1
InChIInChI=1S/C20H26N4OS2/c1-5-23(6-2)18(16-9-10-26-13-16)11-21-19(25)8-7-17-15(4)22-20-24(17)12-14(3)27-20/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,21,25)/b8-7-/t18-/m1/s1
InChIKeyLDXMHBLERWMAHX-JTHGQSKGSA-N
XLogP4.29
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide with MolForge

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Related Compounds

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 24559514
(E)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 60567757
(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 75362297
N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 24559446
(E)-N-[3-(benzimidazol-1-yl)propyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 25358407
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617864
(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 24559342
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39209724
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 24559360
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 97433371) is (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is CCN(CC)[C@H](CNC(=O)/C=C\c1c(C)nc2sc(C)cn12)c1ccsc1.
What is the InChIKey of (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is LDXMHBLERWMAHX-JTHGQSKGSA-N. The full InChI is InChI=1S/C20H26N4OS2/c1-5-23(6-2)18(16-9-10-26-13-16)11-21-19(25)8-7-17-15(4)22-20-24(17)12-14(3)27-20/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,21,25)/b8-7-/t18-/m1/s1.
What are the key properties of (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 402.59 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 97433371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).