2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid

C10H15N3O4S2 — CID 103414078

IUPAC2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid
SMILESCc1ncc(S(=O)(=O)N2CCN(CC(=O)O)CC2)s1
InChIInChI=1S/C10H15N3O4S2/c1-8-11-6-10(18-8)19(16,17)13-4-2-12(3-5-13)7-9(14)15/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyLJUMZGOXIOQBMT-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.16
Rot. Bonds4

About 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid

2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid (PubChem CID 103414078) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid
PubChem CID103414078
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid
SMILESCc1ncc(S(=O)(=O)N2CCN(CC(=O)O)CC2)s1
InChIInChI=1S/C10H15N3O4S2/c1-8-11-6-10(18-8)19(16,17)13-4-2-12(3-5-13)7-9(14)15/h6H,2-5,7H2,1H3,(H,14,15)
InChIKeyLJUMZGOXIOQBMT-UHFFFAOYSA-N
XLogP-0.16
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid (CID 103414078) is 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid is Cc1ncc(S(=O)(=O)N2CCN(CC(=O)O)CC2)s1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
The InChIKey is LJUMZGOXIOQBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-8-11-6-10(18-8)19(16,17)13-4-2-12(3-5-13)7-9(14)15/h6H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid?
2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid has a molecular weight of 305.38 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 103414078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).