[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C16H20N4O2S — CID 45488970

IUPAC[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCCn1cc(C(=O)N2CCC(C(=O)c3nccs3)CC2)c(C)n1
InChIInChI=1S/C16H20N4O2S/c1-3-20-10-13(11(2)18-20)16(22)19-7-4-12(5-8-19)14(21)15-17-6-9-23-15/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyAHFNQAAJAUFSHD-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.40
Rot. Bonds4

About [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 45488970) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID45488970
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESCCn1cc(C(=O)N2CCC(C(=O)c3nccs3)CC2)c(C)n1
InChIInChI=1S/C16H20N4O2S/c1-3-20-10-13(11(2)18-20)16(22)19-7-4-12(5-8-19)14(21)15-17-6-9-23-15/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyAHFNQAAJAUFSHD-UHFFFAOYSA-N
XLogP2.40
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 45488970) is [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is CCn1cc(C(=O)N2CCC(C(=O)c3nccs3)CC2)c(C)n1.
What is the InChIKey of [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is AHFNQAAJAUFSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-20-10-13(11(2)18-20)16(22)19-7-4-12(5-8-19)14(21)15-17-6-9-23-15/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 45488970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).