N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

C18H21ClN4O3S — CID 9217513

IUPACN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C18H21ClN4O3S/c1-25-13-7-3-4-8-14(13)26-12-16(24)22-20-11-15-17(19)21-18(27-15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,22,24)/b20-11-
InChIKeyBBKNUOJNXGYECF-JAIQZWGSSA-N
MW408.91 g/mol
LogP3.32
Rot. Bonds7

About N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 9217513) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID9217513
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C18H21ClN4O3S/c1-25-13-7-3-4-8-14(13)26-12-16(24)22-20-11-15-17(19)21-18(27-15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,22,24)/b20-11-
InChIKeyBBKNUOJNXGYECF-JAIQZWGSSA-N
XLogP3.32
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9217584
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 2124019
2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 126002244
2-(2-methoxyphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 7965556
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 135763398
2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 922208
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 9217513) is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C\c1sc(N2CCCCC2)nc1Cl.
What is the InChIKey of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BBKNUOJNXGYECF-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-25-13-7-3-4-8-14(13)26-12-16(24)22-20-11-15-17(19)21-18(27-15)23-9-5-2-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,22,24)/b20-11-.
What are the key properties of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 408.91 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 9217513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).