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

C15H21N3OS2 — CID 95905579

IUPAC(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESC[C@H]1CN=C(N2CCN(C(=O)[C@H](C)c3ccsc3)CC2)S1
InChIInChI=1S/C15H21N3OS2/c1-11-9-16-15(21-11)18-6-4-17(5-7-18)14(19)12(2)13-3-8-20-10-13/h3,8,10-12H,4-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyGHLABCARQBKFKG-NWDGAFQWSA-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-3-ylpropan-1-one

(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one (PubChem CID 95905579) 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-3-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-3-ylpropan-1-one
PubChem CID95905579
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-3-ylpropan-1-one
SMILESC[C@H]1CN=C(N2CCN(C(=O)[C@H](C)c3ccsc3)CC2)S1
InChIInChI=1S/C15H21N3OS2/c1-11-9-16-15(21-11)18-6-4-17(5-7-18)14(19)12(2)13-3-8-20-10-13/h3,8,10-12H,4-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyGHLABCARQBKFKG-NWDGAFQWSA-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-3-ylpropan-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

(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
(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
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71986149
1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
CID 166247239
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
(3S,4S)-1-(2-thiophen-3-ylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951330
(2S,3S)-2-methyl-1-(2-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 122115966
(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
(2Z,4E)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
CID 100832897
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 71980948
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120

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-3-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-3-ylpropan-1-one (CID 95905579) is (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-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-3-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-3-ylpropan-1-one is C[C@H]1CN=C(N2CCN(C(=O)[C@H](C)c3ccsc3)CC2)S1.
What is the InChIKey of (2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one?
The InChIKey is GHLABCARQBKFKG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-11-9-16-15(21-11)18-6-4-17(5-7-18)14(19)12(2)13-3-8-20-10-13/h3,8,10-12H,4-7,9H2,1-2H3/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-3-ylpropan-1-one?
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-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-3-ylpropan-1-one is sourced from PubChem (CID 95905579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).