2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

C14H24N4OS — CID 119903036

IUPAC2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-11(8-15-3)14(19)18-6-4-17(5-7-18)10-13-9-16-12(2)20-13/h9,11,15H,4-8,10H2,1-3H3
InChIKeySXVHITICIPVTBO-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.95
Rot. Bonds5

About 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 119903036) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID119903036
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(Cc2cnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-11(8-15-3)14(19)18-6-4-17(5-7-18)10-13-9-16-12(2)20-13/h9,11,15H,4-8,10H2,1-3H3
InChIKeySXVHITICIPVTBO-UHFFFAOYSA-N
XLogP0.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-4-methyl-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pentan-1-one;trihydrochloride
CID 119903067
4-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]butan-1-one;trihydrochloride
CID 119903007
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119857198
1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 122135601
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
(3-aminophenyl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903039
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 120636383
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119838984
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;trihydrochloride
CID 119903057
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (CID 119903036) is 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCN(Cc2cnc(C)s2)CC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is SXVHITICIPVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(8-15-3)14(19)18-6-4-17(5-7-18)10-13-9-16-12(2)20-13/h9,11,15H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119903036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).