[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C16H20N4O2S — CID 70772556

IUPAC[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-10-14(23-11(2)18-10)16(22)20-7-4-5-12(9-20)13(21)15-17-6-8-19(15)3/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeyCWJAEKCJFCLSHS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.23
Rot. Bonds3

About [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70772556) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70772556
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-10-14(23-11(2)18-10)16(22)20-7-4-5-12(9-20)13(21)15-17-6-8-19(15)3/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeyCWJAEKCJFCLSHS-UHFFFAOYSA-N
XLogP2.23
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70772556) is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC(C(=O)c3nccn3C)C2)s1.
What is the InChIKey of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is CWJAEKCJFCLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-14(23-11(2)18-10)16(22)20-7-4-5-12(9-20)13(21)15-17-6-8-19(15)3/h6,8,12H,4-5,7,9H2,1-3H3.
What are the key properties of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70772556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).