5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole

C14H19N3S2 — CID 75508189

IUPAC5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(c1ccsc1)N1CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H19N3S2/c1-12(13-2-7-18-10-13)17-5-3-16(4-6-17)9-14-8-15-11-19-14/h2,7-8,10-12H,3-6,9H2,1H3
InChIKeyHLLRRAYHBIHDPF-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.08
Rot. Bonds4

About 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole

5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 75508189) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID75508189
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(c1ccsc1)N1CCN(Cc2cncs2)CC1
InChIInChI=1S/C14H19N3S2/c1-12(13-2-7-18-10-13)17-5-3-16(4-6-17)9-14-8-15-11-19-14/h2,7-8,10-12H,3-6,9H2,1H3
InChIKeyHLLRRAYHBIHDPF-UHFFFAOYSA-N
XLogP3.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
CID 124625428
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
CID 75507812
3-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]benzoic acid
CID 122032905
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 75508189) is 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole is CC(c1ccsc1)N1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HLLRRAYHBIHDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-12(13-2-7-18-10-13)17-5-3-16(4-6-17)9-14-8-15-11-19-14/h2,7-8,10-12H,3-6,9H2,1H3.
What are the key properties of 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole?
5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 293.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75508189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).