2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole

C13H23N3S — CID 64932330

IUPAC2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CCNCC1C(C)C
InChIInChI=1S/C13H23N3S/c1-4-11(13-15-6-8-17-13)16-7-5-14-9-12(16)10(2)3/h6,8,10-12,14H,4-5,7,9H2,1-3H3
InChIKeySLZAWLUKUYVYCT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.52
Rot. Bonds4

About 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole

2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole (PubChem CID 64932330) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
PubChem CID64932330
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CCNCC1C(C)C
InChIInChI=1S/C13H23N3S/c1-4-11(13-15-6-8-17-13)16-7-5-14-9-12(16)10(2)3/h6,8,10-12,14H,4-5,7,9H2,1-3H3
InChIKeySLZAWLUKUYVYCT-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole (CID 64932330) is 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole is CCC(c1nccs1)N1CCNCC1C(C)C.
What is the InChIKey of 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole?
The InChIKey is SLZAWLUKUYVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-11(13-15-6-8-17-13)16-7-5-14-9-12(16)10(2)3/h6,8,10-12,14H,4-5,7,9H2,1-3H3.
What are the key properties of 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole?
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 64932330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).