2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole

C13H18N4S2 — CID 64988735

IUPAC2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCC(C)(c1nc(-c2nccs2)cs1)N1CCNCC1
InChIInChI=1S/C13H18N4S2/c1-13(2,17-6-3-14-4-7-17)12-16-10(9-19-12)11-15-5-8-18-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyCGGIXMYNGHPYFS-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole

2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 64988735) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID64988735
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESCC(C)(c1nc(-c2nccs2)cs1)N1CCNCC1
InChIInChI=1S/C13H18N4S2/c1-13(2,17-6-3-14-4-7-17)12-16-10(9-19-12)11-15-5-8-18-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyCGGIXMYNGHPYFS-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole (CID 64988735) is 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole is CC(C)(c1nc(-c2nccs2)cs1)N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is CGGIXMYNGHPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-13(2,17-6-3-14-4-7-17)12-16-10(9-19-12)11-15-5-8-18-11/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole?
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 294.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 64988735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).