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

C10H15N3O2S — CID 139988270

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
SMILESCc1nc(N2CCN(C(=O)O)CC2)sc1C
InChIInChI=1S/C10H15N3O2S/c1-7-8(2)16-9(11-7)12-3-5-13(6-4-12)10(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyMEMMDXOMKPFOSK-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.56
Rot. Bonds1

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid (PubChem CID 139988270) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
PubChem CID139988270
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
SMILESCc1nc(N2CCN(C(=O)O)CC2)sc1C
InChIInChI=1S/C10H15N3O2S/c1-7-8(2)16-9(11-7)12-3-5-13(6-4-12)10(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyMEMMDXOMKPFOSK-UHFFFAOYSA-N
XLogP1.56
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid (CID 139988270) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid is Cc1nc(N2CCN(C(=O)O)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
The InChIKey is MEMMDXOMKPFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-8(2)16-9(11-7)12-3-5-13(6-4-12)10(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid?
4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 139988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).