[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride

C17H27Cl4N5OS — CID 67506395

IUPAC[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
SMILESCl.Cl.Cl.O=C([C@@H]1C[C@H](N2CCN(c3ccc(Cl)cn3)CC2)CN1)N1CCSC1
InChIInChI=1S/C17H24ClN5OS.3ClH/c18-13-1-2-16(20-10-13)22-5-3-21(4-6-22)14-9-15(19-11-14)17(24)23-7-8-25-12-23;;;/h1-2,10,14-15,19H,3-9,11-12H2;3*1H/t14-,15-;;;/m0.../s1
InChIKeyPDHZPFBVBIFIBH-CEHYLXJWSA-N
MW491.32 g/mol
LogP2.39
Rot. Bonds3

About [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride

[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride (PubChem CID 67506395) has the molecular formula C17H27Cl4N5OS and a molecular weight of 491.32 g/mol. Its IUPAC name is [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
PubChem CID67506395
Molecular FormulaC17H27Cl4N5OS
Molecular Weight491.32 g/mol
Exact Mass489.07
IUPAC Name[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
SMILESCl.Cl.Cl.O=C([C@@H]1C[C@H](N2CCN(c3ccc(Cl)cn3)CC2)CN1)N1CCSC1
InChIInChI=1S/C17H24ClN5OS.3ClH/c18-13-1-2-16(20-10-13)22-5-3-21(4-6-22)14-9-15(19-11-14)17(24)23-7-8-25-12-23;;;/h1-2,10,14-15,19H,3-9,11-12H2;3*1H/t14-,15-;;;/m0.../s1
InChIKeyPDHZPFBVBIFIBH-CEHYLXJWSA-N
XLogP2.39
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride 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

[(2S,4S)-4-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 67506436
5-chloro-6-[4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;trihydrochloride
CID 67506869
[(2S,4S)-4-[4-(4-chloroanilino)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67507555
[(2S,4S)-4-(4-pyrimidin-2-ylpiperidin-1-yl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 67506731
[(2S,4S)-4-[4-(4-bromoisoquinolin-1-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67507386
[(2S,4S)-4-[4-[8-methoxy-4-(trifluoromethyl)quinolin-2-yl]piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
CID 140553258
[(2S,4S)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 141413532
[(2S,4S)-4-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67506705
[4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 22028937
[(2S,4S)-4-[4-(N-methylanilino)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67507419
3-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21029510
2-[4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]-1,3-benzoxazole-5-carbonitrile
CID 66559376

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride?
The IUPAC name of [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride (CID 67506395) is [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride.
What is the SMILES notation for [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride?
The canonical SMILES for [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride is Cl.Cl.Cl.O=C([C@@H]1C[C@H](N2CCN(c3ccc(Cl)cn3)CC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride?
The InChIKey is PDHZPFBVBIFIBH-CEHYLXJWSA-N. The full InChI is InChI=1S/C17H24ClN5OS.3ClH/c18-13-1-2-16(20-10-13)22-5-3-21(4-6-22)14-9-15(19-11-14)17(24)23-7-8-25-12-23;;;/h1-2,10,14-15,19H,3-9,11-12H2;3*1H/t14-,15-;;;/m0.../s1.
What are the key properties of [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride?
[(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride has a molecular weight of 491.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride is sourced from PubChem (CID 67506395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).