4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid

C11H17N3O4S2 — CID 150534942

IUPAC4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
SMILESCC(C)S(=O)(=O)c1cnc(N2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C11H17N3O4S2/c1-8(2)20(17,18)9-7-12-10(19-9)13-3-5-14(6-4-13)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyIEQIUXNBFGAWGS-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.13
Rot. Bonds3

About 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid

4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid (PubChem CID 150534942) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
PubChem CID150534942
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
SMILESCC(C)S(=O)(=O)c1cnc(N2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C11H17N3O4S2/c1-8(2)20(17,18)9-7-12-10(19-9)13-3-5-14(6-4-13)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyIEQIUXNBFGAWGS-UHFFFAOYSA-N
XLogP1.13
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[methyl-[(1R)-1-phenylethyl]carbamoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 123997642
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
CID 133355060
2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 133363012
2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62775464
propan-2-yl 4-(5-bromo-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate
CID 168724904
(5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(5-pyridin-4-ylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 21100250
1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 68532452
methyl 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69199219
4-(5-aminopyrazin-2-yl)piperazine-1-carboxylic acid
CID 141367991
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106742

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid (CID 150534942) is 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid is CC(C)S(=O)(=O)c1cnc(N2CCN(C(=O)O)CC2)s1.
What is the InChIKey of 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The InChIKey is IEQIUXNBFGAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-8(2)20(17,18)9-7-12-10(19-9)13-3-5-14(6-4-13)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid has a molecular weight of 319.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 150534942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).