2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C16H25N5O2S2 — CID 46957301

IUPAC2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCCCn1cc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)c(C)n1
InChIInChI=1S/C16H25N5O2S2/c1-4-5-20-11-16(13(2)18-20)25(22,23)21-8-6-19(7-9-21)10-15-12-24-14(3)17-15/h11-12H,4-10H2,1-3H3
InChIKeyUAYNNGIUJGCJBP-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.87
Rot. Bonds6

About 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 46957301) has the molecular formula C16H25N5O2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID46957301
Molecular FormulaC16H25N5O2S2
Molecular Weight383.54 g/mol
Exact Mass383.14
IUPAC Name2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCCCn1cc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)c(C)n1
InChIInChI=1S/C16H25N5O2S2/c1-4-5-20-11-16(13(2)18-20)25(22,23)21-8-6-19(7-9-21)10-15-12-24-14(3)17-15/h11-12H,4-10H2,1-3H3
InChIKeyUAYNNGIUJGCJBP-UHFFFAOYSA-N
XLogP1.87
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 46957301) is 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is CCCn1cc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)c(C)n1.
What is the InChIKey of 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UAYNNGIUJGCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S2/c1-4-5-20-11-16(13(2)18-20)25(22,23)21-8-6-19(7-9-21)10-15-12-24-14(3)17-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 383.54 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(3-methyl-1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46957301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).