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

C17H19ClN4O2S — CID 9231597

IUPACN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1
InChIInChI=1S/C17H19ClN4O2S/c1-24-13-7-5-12(6-8-13)16(23)21-19-11-14-15(18)20-17(25-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)/b19-11-
InChIKeyBXHCLEGZDGXDCS-ODLFYWEKSA-N
MW378.89 g/mol
LogP3.56
Rot. Bonds5

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

N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 9231597) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
PubChem CID9231597
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1
InChIInChI=1S/C17H19ClN4O2S/c1-24-13-7-5-12(6-8-13)16(23)21-19-11-14-15(18)20-17(25-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)/b19-11-
InChIKeyBXHCLEGZDGXDCS-ODLFYWEKSA-N
XLogP3.56
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 9034357
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9217584
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
CID 9234451
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9217513
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 2124019
4-[(4-ethoxyphenoxy)methyl]-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 4618906
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
4-methoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3663595

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide (CID 9231597) is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1.
What is the InChIKey of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is BXHCLEGZDGXDCS-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-24-13-7-5-12(6-8-13)16(23)21-19-11-14-15(18)20-17(25-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)/b19-11-.
What are the key properties of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 378.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-methoxybenzamide is sourced from PubChem (CID 9231597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).