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

C16H18ClN5OS — CID 9034357

IUPAC4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1
InChIInChI=1S/C16H18ClN5OS/c17-14-13(24-16(20-14)22-8-2-1-3-9-22)10-19-21-15(23)11-4-6-12(18)7-5-11/h4-7,10H,1-3,8-9,18H2,(H,21,23)/b19-10-
InChIKeyWGPKURJNBUEWOL-GRSHGNNSSA-N
MW363.87 g/mol
LogP3.13
Rot. Bonds4

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

4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide (PubChem CID 9034357) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
PubChem CID9034357
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1
InChIInChI=1S/C16H18ClN5OS/c17-14-13(24-16(20-14)22-8-2-1-3-9-22)10-19-21-15(23)11-4-6-12(18)7-5-11/h4-7,10H,1-3,8-9,18H2,(H,21,23)/b19-10-
InChIKeyWGPKURJNBUEWOL-GRSHGNNSSA-N
XLogP3.13
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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]-4-methoxybenzamide
CID 9231597
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-(4-methoxyphenoxy)acetamide
CID 9217584
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9217513
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
1-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-prop-2-enylthiourea
CID 9216224
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
4-[(4-ethoxyphenoxy)methyl]-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 4618906
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 2124019
(E)-3-(4-chloro-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)prop-2-enamide
CID 170876912
1-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9217930
2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722564

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide (CID 9034357) is 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2sc(N3CCCCC3)nc2Cl)cc1.
What is the InChIKey of 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
The InChIKey is WGPKURJNBUEWOL-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H18ClN5OS/c17-14-13(24-16(20-14)22-8-2-1-3-9-22)10-19-21-15(23)11-4-6-12(18)7-5-11/h4-7,10H,1-3,8-9,18H2,(H,21,23)/b19-10-.
What are the key properties of 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide?
4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide has a molecular weight of 363.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 9034357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).