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

C16H17ClN4O2S — CID 9234451

IUPACN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1sc(N2CCCCC2)nc1Cl)c1cccc(O)c1
InChIInChI=1S/C16H17ClN4O2S/c17-14-13(24-16(19-14)21-7-2-1-3-8-21)10-18-20-15(23)11-5-4-6-12(22)9-11/h4-6,9-10,22H,1-3,7-8H2,(H,20,23)/b18-10-
InChIKeyBTPHKFOLWSNOBX-ZDLGFXPLSA-N
MW364.86 g/mol
LogP3.26
Rot. Bonds4

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

N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 9234451) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID9234451
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1sc(N2CCCCC2)nc1Cl)c1cccc(O)c1
InChIInChI=1S/C16H17ClN4O2S/c17-14-13(24-16(19-14)21-7-2-1-3-8-21)10-18-20-15(23)11-5-4-6-12(22)9-11/h4-6,9-10,22H,1-3,7-8H2,(H,20,23)/b18-10-
InChIKeyBTPHKFOLWSNOBX-ZDLGFXPLSA-N
XLogP3.26
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
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]-4-methoxybenzamide
CID 9231597
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
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]-2-(4-methoxyphenoxy)acetamide
CID 9217584
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 2124019
3-[[4-chloro-5-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
CID 6879448
2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722564
3-hydroxy-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6911453
N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide
CID 1237486
1-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-prop-2-enylthiourea
CID 9216224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide (CID 9234451) is N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide is O=C(N/N=C\c1sc(N2CCCCC2)nc1Cl)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is BTPHKFOLWSNOBX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c17-14-13(24-16(19-14)21-7-2-1-3-8-21)10-18-20-15(23)11-5-4-6-12(22)9-11/h4-6,9-10,22H,1-3,7-8H2,(H,20,23)/b18-10-.
What are the key properties of N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide?
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 364.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 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]-3-hydroxybenzamide is sourced from PubChem (CID 9234451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).