1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

C18H19N3OS2 — CID 11581235

IUPAC1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3csc4ccccc34)CC2)sn1
InChIInChI=1S/C18H19N3OS2/c1-12-10-17(24-20-12)19-18(22)13-6-8-21(9-7-13)15-11-23-16-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9H2,1H3,(H,19,22)
InChIKeyYGCDFJPSAMEAGF-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.52
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide

1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (PubChem CID 11581235) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
PubChem CID11581235
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3csc4ccccc34)CC2)sn1
InChIInChI=1S/C18H19N3OS2/c1-12-10-17(24-20-12)19-18(22)13-6-8-21(9-7-13)15-11-23-16-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9H2,1H3,(H,19,22)
InChIKeyYGCDFJPSAMEAGF-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide (CID 11581235) is 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3csc4ccccc34)CC2)sn1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is YGCDFJPSAMEAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-12-10-17(24-20-12)19-18(22)13-6-8-21(9-7-13)15-11-23-16-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9H2,1H3,(H,19,22).
What are the key properties of 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide?
1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).