4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole

C13H23N3S — CID 63874067

IUPAC4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CN2CC(C)NC(C)C2)cs1
InChIInChI=1S/C13H23N3S/c1-4-5-13-15-12(9-17-13)8-16-6-10(2)14-11(3)7-16/h9-11,14H,4-8H2,1-3H3
InChIKeyHXYVBJDEGOGWGO-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.28
Rot. Bonds4

About 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole

4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole (PubChem CID 63874067) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
PubChem CID63874067
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CN2CC(C)NC(C)C2)cs1
InChIInChI=1S/C13H23N3S/c1-4-5-13-15-12(9-17-13)8-16-6-10(2)14-11(3)7-16/h9-11,14H,4-8H2,1-3H3
InChIKeyHXYVBJDEGOGWGO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 94066345
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole (CID 63874067) is 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole is CCCc1nc(CN2CC(C)NC(C)C2)cs1.
What is the InChIKey of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole?
The InChIKey is HXYVBJDEGOGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-5-13-15-12(9-17-13)8-16-6-10(2)14-11(3)7-16/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole?
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 63874067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).