2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

C16H23N5O3S2 — CID 46969398

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)NCCS(=O)(=O)N3CCCCC3)cs2)n1
InChIInChI=1S/C16H23N5O3S2/c1-12-10-13(2)21(19-12)16-18-14(11-25-16)15(22)17-6-9-26(23,24)20-7-4-3-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyJLSYEWCUIJCBSN-UHFFFAOYSA-N
MW397.53 g/mol
LogP1.49
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46969398) has the molecular formula C16H23N5O3S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
PubChem CID46969398
Molecular FormulaC16H23N5O3S2
Molecular Weight397.53 g/mol
Exact Mass397.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)NCCS(=O)(=O)N3CCCCC3)cs2)n1
InChIInChI=1S/C16H23N5O3S2/c1-12-10-13(2)21(19-12)16-18-14(11-25-16)15(22)17-6-9-26(23,24)20-7-4-3-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyJLSYEWCUIJCBSN-UHFFFAOYSA-N
XLogP1.49
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (CID 46969398) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2nc(C(=O)NCCS(=O)(=O)N3CCCCC3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JLSYEWCUIJCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S2/c1-12-10-13(2)21(19-12)16-18-14(11-25-16)15(22)17-6-9-26(23,24)20-7-4-3-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46969398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).