5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole

C16H23N3S2 — CID 63342178

IUPAC5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCCCC(c1nc(-c2cccs2)c(C)s1)N1CCNCC1
InChIInChI=1S/C16H23N3S2/c1-3-5-13(19-9-7-17-8-10-19)16-18-15(12(2)21-16)14-6-4-11-20-14/h4,6,11,13,17H,3,5,7-10H2,1-2H3
InChIKeyFXIUUTJCCONDJR-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.93
Rot. Bonds5

About 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole

5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 63342178) has the molecular formula C16H23N3S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID63342178
Molecular FormulaC16H23N3S2
Molecular Weight321.51 g/mol
Exact Mass321.13
IUPAC Name5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCCCC(c1nc(-c2cccs2)c(C)s1)N1CCNCC1
InChIInChI=1S/C16H23N3S2/c1-3-5-13(19-9-7-17-8-10-19)16-18-15(12(2)21-16)14-6-4-11-20-14/h4,6,11,13,17H,3,5,7-10H2,1-2H3
InChIKeyFXIUUTJCCONDJR-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 104513339
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 63342689
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
CID 61334911
2,5-dimethyl-4-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 63752075
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole (CID 63342178) is 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole is CCCC(c1nc(-c2cccs2)c(C)s1)N1CCNCC1.
What is the InChIKey of 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is FXIUUTJCCONDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S2/c1-3-5-13(19-9-7-17-8-10-19)16-18-15(12(2)21-16)14-6-4-11-20-14/h4,6,11,13,17H,3,5,7-10H2,1-2H3.
What are the key properties of 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole?
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 321.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 63342178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).