(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

C15H21N3OS2 — CID 95905520

IUPAC(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCN(C2=NC[C@H](C)S2)CC1)c1cccs1
InChIInChI=1S/C15H21N3OS2/c1-11-10-16-15(21-11)18-7-5-17(6-8-18)14(19)12(2)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyNVUJOYDARGLULW-RYUDHWBXSA-N
MW323.49 g/mol
LogP2.49
Rot. Bonds2

About (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 95905520) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID95905520
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCN(C2=NC[C@H](C)S2)CC1)c1cccs1
InChIInChI=1S/C15H21N3OS2/c1-11-10-16-15(21-11)18-7-5-17(6-8-18)14(19)12(2)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyNVUJOYDARGLULW-RYUDHWBXSA-N
XLogP2.49
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95905579
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 95905565
(2S,3R)-2-[1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-4-yl]oxolane-3-carboxylic acid
CID 129469166
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129478869
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 71998340
(2Z,4E)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
CID 129373920
1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 166374121
3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 71986172
2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 95788061
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (CID 95905520) is (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is C[C@H](C(=O)N1CCN(C2=NC[C@H](C)S2)CC1)c1cccs1.
What is the InChIKey of (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is NVUJOYDARGLULW-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-11-10-16-15(21-11)18-7-5-17(6-8-18)14(19)12(2)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 323.49 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 95905520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).