(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

C18H24N4OS — CID 94182259

IUPAC(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1cscn1
InChIInChI=1S/C18H24N4OS/c1-15(20(2)12-16-13-24-14-19-16)18(23)22-10-8-21(9-11-22)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3/t15-/m0/s1
InChIKeyMFYBCAZRMAQPSH-HNNXBMFYSA-N
MW344.48 g/mol
LogP2.31
Rot. Bonds5

About (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one

(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 94182259) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID94182259
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1cscn1
InChIInChI=1S/C18H24N4OS/c1-15(20(2)12-16-13-24-14-19-16)18(23)22-10-8-21(9-11-22)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3/t15-/m0/s1
InChIKeyMFYBCAZRMAQPSH-HNNXBMFYSA-N
XLogP2.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-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

3-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]propanoic acid
CID 119912257
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 167931324
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 47076191
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
N-(3-methoxypropyl)-2-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]acetamide
CID 51261324
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248828
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 94182259) is (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one is C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1cscn1.
What is the InChIKey of (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is MFYBCAZRMAQPSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15(20(2)12-16-13-24-14-19-16)18(23)22-10-8-21(9-11-22)17-6-4-3-5-7-17/h3-7,13-15H,8-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 94182259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).