N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide

C24H32N4O3S — CID 55491606

IUPACN,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)/C=C/c2ccccc2OCc2csc(C)n2)CC1
InChIInChI=1S/C24H32N4O3S/c1-4-27(5-2)24(30)16-26-12-14-28(15-13-26)23(29)11-10-20-8-6-7-9-22(20)31-17-21-18-32-19(3)25-21/h6-11,18H,4-5,12-17H2,1-3H3/b11-10+
InChIKeyIIIVLMQSPXRYGJ-ZHACJKMWSA-N
MW456.61 g/mol
LogP3.06
Rot. Bonds9

About N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 55491606) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID55491606
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)/C=C/c2ccccc2OCc2csc(C)n2)CC1
InChIInChI=1S/C24H32N4O3S/c1-4-27(5-2)24(30)16-26-12-14-28(15-13-26)23(29)11-10-20-8-6-7-9-22(20)31-17-21-18-32-19(3)25-21/h6-11,18H,4-5,12-17H2,1-3H3/b11-10+
InChIKeyIIIVLMQSPXRYGJ-ZHACJKMWSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
CID 26014762
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 48532439
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
CID 55672942
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 26052907
(E)-1-(4-methyl-2-phenylpiperazin-1-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
CID 42931939
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 55520303
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31840850
4-[3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]-3-propan-2-ylpiperazin-2-one
CID 72687206
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 25486306
(E)-N-hexyl-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 46538160
(E)-N-(benzimidazol-1-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24669672
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591668

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide (CID 55491606) is N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)/C=C/c2ccccc2OCc2csc(C)n2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is IIIVLMQSPXRYGJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-4-27(5-2)24(30)16-26-12-14-28(15-13-26)23(29)11-10-20-8-6-7-9-22(20)31-17-21-18-32-19(3)25-21/h6-11,18H,4-5,12-17H2,1-3H3/b11-10+.
What are the key properties of N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 456.61 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55491606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).