2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole

C14H25N3S — CID 55203528

IUPAC2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(CCC)N2CCNCC2)n1
InChIInChI=1S/C14H25N3S/c1-3-5-12-11-18-14(16-12)13(6-4-2)17-9-7-15-8-10-17/h11,13,15H,3-10H2,1-2H3
InChIKeyVOQSYIMMCNUNBA-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.84
Rot. Bonds6

About 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole

2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole (PubChem CID 55203528) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
PubChem CID55203528
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(CCC)N2CCNCC2)n1
InChIInChI=1S/C14H25N3S/c1-3-5-12-11-18-14(16-12)13(6-4-2)17-9-7-15-8-10-17/h11,13,15H,3-10H2,1-2H3
InChIKeyVOQSYIMMCNUNBA-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 63342689
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
2-(1-methoxybutyl)-4-propyl-1,3-thiazole
CID 116734629
ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
CID 107380194
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 63752075
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-1,4-diazepan-5-one
CID 63004510

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole (CID 55203528) is 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole is CCCc1csc(C(CCC)N2CCNCC2)n1.
What is the InChIKey of 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole?
The InChIKey is VOQSYIMMCNUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-5-12-11-18-14(16-12)13(6-4-2)17-9-7-15-8-10-17/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole?
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 55203528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).