2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole

C15H22N4S2 — CID 63752075

IUPAC2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCCC(c1nc(-c2nc(C)sc2C)cs1)N1CCNCC1
InChIInChI=1S/C15H22N4S2/c1-4-13(19-7-5-16-6-8-19)15-18-12(9-20-15)14-10(2)21-11(3)17-14/h9,13,16H,4-8H2,1-3H3
InChIKeyJFYGOWPTWGFXIJ-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.24
Rot. Bonds4

About 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole

2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 63752075) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID63752075
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCCC(c1nc(-c2nc(C)sc2C)cs1)N1CCNCC1
InChIInChI=1S/C15H22N4S2/c1-4-13(19-7-5-16-6-8-19)15-18-12(9-20-15)14-10(2)21-11(3)17-14/h9,13,16H,4-8H2,1-3H3
InChIKeyJFYGOWPTWGFXIJ-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 63751900
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
4-(1-ethylpyrazol-4-yl)-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342299
ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
CID 107380194
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
2-[1-(1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64948646
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 63342689
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 63342467

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole (CID 63752075) is 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole is CCC(c1nc(-c2nc(C)sc2C)cs1)N1CCNCC1.
What is the InChIKey of 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is JFYGOWPTWGFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-4-13(19-7-5-16-6-8-19)15-18-12(9-20-15)14-10(2)21-11(3)17-14/h9,13,16H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole?
2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 322.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 63752075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).