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

C10H17N3O2S2 — CID 706748

IUPAC2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1
InChIInChI=1S/C10H17N3O2S2/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15/h8H,3-7H2,1-2H3
InChIKeyTZLFPTSDXANECV-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.53
Rot. Bonds3

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

2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 706748) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID706748
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1
InChIInChI=1S/C10H17N3O2S2/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15/h8H,3-7H2,1-2H3
InChIKeyTZLFPTSDXANECV-UHFFFAOYSA-N
XLogP0.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 706748) is 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1.
What is the InChIKey of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is TZLFPTSDXANECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 275.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 706748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).