1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

C11H17N3OS — CID 141277856

IUPAC1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C[C@@H]1C
InChIInChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyVVSNUKJCBQCCLX-VIFPVBQESA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds2

About 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 141277856) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
PubChem CID141277856
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C[C@@H]1C
InChIInChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyVVSNUKJCBQCCLX-VIFPVBQESA-N
XLogP1.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone 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-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
CID 10913029
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
CID 52677539
tert-Butyl 4-(methyl(thiazol-5-ylmethyl)amino)piperidine-1-carboxylate
CID 71647472
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 71846432
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
1-[3,3-Dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75500701
1-(2-Methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 86785266
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 100694202
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347
2,2-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 103515099
2-[Methyl-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]amino]-1-piperazin-1-ylethanone
CID 120835965

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (CID 141277856) is 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cncs2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is VVSNUKJCBQCCLX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 141277856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).