1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C15H21N5O3S2 — CID 71802209

IUPAC1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2csc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)19-9-4-12(5-10-19)14(21)16-7-3-13-11-24-15(18-13)20-8-2-6-17-20/h2,6,8,11-12H,3-5,7,9-10H2,1H3,(H,16,21)
InChIKeyFABUQSFZCPMREB-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.66
Rot. Bonds6

About 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 71802209) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID71802209
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2csc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)19-9-4-12(5-10-19)14(21)16-7-3-13-11-24-15(18-13)20-8-2-6-17-20/h2,6,8,11-12H,3-5,7,9-10H2,1H3,(H,16,21)
InChIKeyFABUQSFZCPMREB-UHFFFAOYSA-N
XLogP0.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 71802209) is 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCc2csc(-n3cccn3)n2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is FABUQSFZCPMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S2/c1-25(22,23)19-9-4-12(5-10-19)14(21)16-7-3-13-11-24-15(18-13)20-8-2-6-17-20/h2,6,8,11-12H,3-5,7,9-10H2,1H3,(H,16,21).
What are the key properties of 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71802209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).