N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide

C15H19N3OS2 — CID 122137385

IUPACN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC(CNC(=O)c2cscn2)C1c1cccs1
InChIInChI=1S/C15H19N3OS2/c1-18-6-2-4-11(14(18)13-5-3-7-21-13)8-16-15(19)12-9-20-10-17-12/h3,5,7,9-11,14H,2,4,6,8H2,1H3,(H,16,19)
InChIKeyBPXZSCXBQFQQSB-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.02
Rot. Bonds4

About N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide

N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 122137385) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID122137385
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC(CNC(=O)c2cscn2)C1c1cccs1
InChIInChI=1S/C15H19N3OS2/c1-18-6-2-4-11(14(18)13-5-3-7-21-13)8-16-15(19)12-9-20-10-17-12/h3,5,7,9-11,14H,2,4,6,8H2,1H3,(H,16,19)
InChIKeyBPXZSCXBQFQQSB-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 122137385) is N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is CN1CCCC(CNC(=O)c2cscn2)C1c1cccs1.
What is the InChIKey of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BPXZSCXBQFQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-18-6-2-4-11(14(18)13-5-3-7-21-13)8-16-15(19)12-9-20-10-17-12/h3,5,7,9-11,14H,2,4,6,8H2,1H3,(H,16,19).
What are the key properties of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122137385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).