2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

C17H25N5OS — CID 46968831

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)NCCN3CCC(C)CC3)cs2)n1
InChIInChI=1S/C17H25N5OS/c1-12-4-7-21(8-5-12)9-6-18-16(23)15-11-24-17(19-15)22-14(3)10-13(2)20-22/h10-12H,4-9H2,1-3H3,(H,18,23)
InChIKeyGQWSXSHZFHAAJL-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.41
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 46968831) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID46968831
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)NCCN3CCC(C)CC3)cs2)n1
InChIInChI=1S/C17H25N5OS/c1-12-4-7-21(8-5-12)9-6-18-16(23)15-11-24-17(19-15)22-14(3)10-13(2)20-22/h10-12H,4-9H2,1-3H3,(H,18,23)
InChIKeyGQWSXSHZFHAAJL-UHFFFAOYSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 46968831) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2nc(C(=O)NCCN3CCC(C)CC3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GQWSXSHZFHAAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-4-7-21(8-5-12)9-6-18-16(23)15-11-24-17(19-15)22-14(3)10-13(2)20-22/h10-12H,4-9H2,1-3H3,(H,18,23).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46968831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).