4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole

C13H23N3S — CID 63342177

IUPAC4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1nc(C)c(C)s1)N1CCNCC1
InChIInChI=1S/C13H23N3S/c1-4-5-12(16-8-6-14-7-9-16)13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3
InChIKeyRFPNUCUHAOOWTR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.51
Rot. Bonds4

About 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole

4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (PubChem CID 63342177) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
PubChem CID63342177
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCCC(c1nc(C)c(C)s1)N1CCNCC1
InChIInChI=1S/C13H23N3S/c1-4-5-12(16-8-6-14-7-9-16)13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3
InChIKeyRFPNUCUHAOOWTR-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
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
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)butyl]piperazine;dihydrochloride
CID 171276319
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171166800
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171172161
1-[(1S)-1-(2,4-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171282259
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole (CID 63342177) is 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is CCCC(c1nc(C)c(C)s1)N1CCNCC1.
What is the InChIKey of 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
The InChIKey is RFPNUCUHAOOWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-5-12(16-8-6-14-7-9-16)13-15-10(2)11(3)17-13/h12,14H,4-9H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole?
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole is sourced from PubChem (CID 63342177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).