3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide

C22H24N4O3S2 — CID 2124019

IUPAC3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1OC
InChIInChI=1S/C22H24N4O3S2/c1-28-16-9-8-15(13-17(16)29-2)21(27)25-23-14-19-20(18-7-6-12-30-18)24-22(31-19)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyNOWGGPULXNTCKP-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.64
Rot. Bonds7

About 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide

3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide (PubChem CID 2124019) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
PubChem CID2124019
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC Name3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1OC
InChIInChI=1S/C22H24N4O3S2/c1-28-16-9-8-15(13-17(16)29-2)21(27)25-23-14-19-20(18-7-6-12-30-18)24-22(31-19)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,27)
InChIKeyNOWGGPULXNTCKP-UHFFFAOYSA-N
XLogP4.64
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 4618906
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
CID 9231597
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9217513
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
CID 9234451
N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6184216
4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 9034357
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 9232259
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 126114114
4-iodo-3-methoxy-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 3431071

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide (CID 2124019) is 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The InChIKey is NOWGGPULXNTCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c1-28-16-9-8-15(13-17(16)29-2)21(27)25-23-14-19-20(18-7-6-12-30-18)24-22(31-19)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,27).
What are the key properties of 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 2124019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).