1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one

C14H23N3OS — CID 119564329

IUPAC1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
SMILESCc1nc(CCCC(=O)N2CC(C)NC(C)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)14(18)6-4-5-13-9-19-12(3)16-13/h9-11,15H,4-8H2,1-3H3
InChIKeyIMAMVZXJVDDSGB-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.98
Rot. Bonds4

About 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one

1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one (PubChem CID 119564329) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
PubChem CID119564329
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
SMILESCc1nc(CCCC(=O)N2CC(C)NC(C)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)14(18)6-4-5-13-9-19-12(3)16-13/h9-11,15H,4-8H2,1-3H3
InChIKeyIMAMVZXJVDDSGB-UHFFFAOYSA-N
XLogP1.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119378285
(1R,6S,7S)-3-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254800
1-(2,3-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 120571813
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 124590420
(3aS,6aR)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682933
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 124614030
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 124691638
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]piperidine-2-carboxylic acid
CID 102553994
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one (CID 119564329) is 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one is Cc1nc(CCCC(=O)N2CC(C)NC(C)C2)cs1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
The InChIKey is IMAMVZXJVDDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-7-17(8-11(2)15-10)14(18)6-4-5-13-9-19-12(3)16-13/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one?
1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one has a molecular weight of 281.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one is sourced from PubChem (CID 119564329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).