4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid

C16H20N4O2S — CID 54157673

IUPAC4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(c3ccncc3)CC2)sc1C(=O)O
InChIInChI=1S/C16H20N4O2S/c1-11(2)13-14(15(21)22)23-16(18-13)20-9-7-19(8-10-20)12-3-5-17-6-4-12/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyOMFSYSNZQANUOH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.69
Rot. Bonds4

About 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid

4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 54157673) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID54157673
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(c3ccncc3)CC2)sc1C(=O)O
InChIInChI=1S/C16H20N4O2S/c1-11(2)13-14(15(21)22)23-16(18-13)20-9-7-19(8-10-20)12-3-5-17-6-4-12/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyOMFSYSNZQANUOH-UHFFFAOYSA-N
XLogP2.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 54157673) is 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(N2CCN(c3ccncc3)CC2)sc1C(=O)O.
What is the InChIKey of 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OMFSYSNZQANUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(2)13-14(15(21)22)23-16(18-13)20-9-7-19(8-10-20)12-3-5-17-6-4-12/h3-6,11H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 54157673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).