N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide

C18H19ClN4O2S — CID 25071683

IUPACN-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1
InChIInChI=1S/C18H19ClN4O2S/c1-12-16(26-22-21-12)17(24)20-15(14(19)13-8-4-2-5-9-13)18(25)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,20,24)/b15-14-
InChIKeyCVKOVQNFLZFCRS-PFONDFGASA-N
MW390.90 g/mol
LogP3.20
Rot. Bonds4

About N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide

N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 25071683) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID25071683
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1
InChIInChI=1S/C18H19ClN4O2S/c1-12-16(26-22-21-12)17(24)20-15(14(19)13-8-4-2-5-9-13)18(25)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,20,24)/b15-14-
InChIKeyCVKOVQNFLZFCRS-PFONDFGASA-N
XLogP3.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide (CID 25071683) is N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1.
What is the InChIKey of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is CVKOVQNFLZFCRS-PFONDFGASA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-12-16(26-22-21-12)17(24)20-15(14(19)13-8-4-2-5-9-13)18(25)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,20,24)/b15-14-.
What are the key properties of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide?
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 25071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).