(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H17N5OS — CID 37281524

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3nccs3)CC2)cnn1C
InChIInChI=1S/C13H17N5OS/c1-10-11(9-15-16(10)2)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8-9H,4-7H2,1-2H3
InChIKeyXEESWXTUUUPBOG-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.15
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 37281524) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID37281524
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3nccs3)CC2)cnn1C
InChIInChI=1S/C13H17N5OS/c1-10-11(9-15-16(10)2)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8-9H,4-7H2,1-2H3
InChIKeyXEESWXTUUUPBOG-UHFFFAOYSA-N
XLogP1.15
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.15
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-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 37281524) is (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3nccs3)CC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XEESWXTUUUPBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10-11(9-15-16(10)2)12(19)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8-9H,4-7H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 1.15, 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-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 37281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).