(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C17H21N5OS — CID 92595135

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cnn1C
InChIInChI=1S/C17H21N5OS/c1-11-14(10-18-20(11)3)16(23)21-6-4-13(5-7-21)15-17-22(8-9-24-17)12(2)19-15/h8-10,13H,4-7H2,1-3H3
InChIKeyOJYWIFRALQFQEG-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.77
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92595135) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92595135
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cnn1C
InChIInChI=1S/C17H21N5OS/c1-11-14(10-18-20(11)3)16(23)21-6-4-13(5-7-21)15-17-22(8-9-24-17)12(2)19-15/h8-10,13H,4-7H2,1-3H3
InChIKeyOJYWIFRALQFQEG-UHFFFAOYSA-N
XLogP2.77
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92595135) is (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is OJYWIFRALQFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-14(10-18-20(11)3)16(23)21-6-4-13(5-7-21)15-17-22(8-9-24-17)12(2)19-15/h8-10,13H,4-7H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 343.46 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92595135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).