1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide

C18H19N5OS — CID 138588116

IUPAC1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cnsc4)ccc3nn2)CC1
InChIInChI=1S/C18H19N5OS/c1-23-6-4-12(5-7-23)18(24)20-17-9-14-8-13(15-10-19-25-11-15)2-3-16(14)21-22-17/h2-3,8-12H,4-7H2,1H3,(H,20,22,24)
InChIKeyOZKAGFHUZHQBDP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.03
Rot. Bonds3

About 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide

1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide (PubChem CID 138588116) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
PubChem CID138588116
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cnsc4)ccc3nn2)CC1
InChIInChI=1S/C18H19N5OS/c1-23-6-4-12(5-7-23)18(24)20-17-9-14-8-13(15-10-19-25-11-15)2-3-16(14)21-22-17/h2-3,8-12H,4-7H2,1H3,(H,20,22,24)
InChIKeyOZKAGFHUZHQBDP-UHFFFAOYSA-N
XLogP3.03
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide (CID 138588116) is 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc3cc(-c4cnsc4)ccc3nn2)CC1.
What is the InChIKey of 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
The InChIKey is OZKAGFHUZHQBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-23-6-4-12(5-7-23)18(24)20-17-9-14-8-13(15-10-19-25-11-15)2-3-16(14)21-22-17/h2-3,8-12H,4-7H2,1H3,(H,20,22,24).
What are the key properties of 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide?
1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138588116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).