4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole

C15H20BrN3S2 — CID 107354715

IUPAC4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1nc(-c2cc(Br)cs2)cs1)N1CCNCC1
InChIInChI=1S/C15H20BrN3S2/c1-2-3-13(19-6-4-17-5-7-19)15-18-12(10-21-15)14-8-11(16)9-20-14/h8-10,13,17H,2-7H2,1H3
InChIKeyZWNMJXKLFYINGJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.38
Rot. Bonds5

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

4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (PubChem CID 107354715) has the molecular formula C15H20BrN3S2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
PubChem CID107354715
Molecular FormulaC15H20BrN3S2
Molecular Weight386.38 g/mol
Exact Mass385.03
IUPAC Name4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1nc(-c2cc(Br)cs2)cs1)N1CCNCC1
InChIInChI=1S/C15H20BrN3S2/c1-2-3-13(19-6-4-17-5-7-19)15-18-12(10-21-15)14-8-11(16)9-20-14/h8-10,13,17H,2-7H2,1H3
InChIKeyZWNMJXKLFYINGJ-UHFFFAOYSA-N
XLogP4.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 63342689
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 63752075
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
4-(1-ethylpyrazol-4-yl)-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342299
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
CID 116967341
1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (CID 107354715) is 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is CCCC(c1nc(-c2cc(Br)cs2)cs1)N1CCNCC1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The InChIKey is ZWNMJXKLFYINGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S2/c1-2-3-13(19-6-4-17-5-7-19)15-18-12(10-21-15)14-8-11(16)9-20-14/h8-10,13,17H,2-7H2,1H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole has a molecular weight of 386.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is sourced from PubChem (CID 107354715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).