N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride

C19H35Cl2N5O2S — CID 67507050

IUPACN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C19H33N5O2S.2ClH/c25-18(24-10-11-27-14-24)17-12-16(13-20-17)22-6-8-23(9-7-22)19(26)21-15-4-2-1-3-5-15;;/h15-17,20H,1-14H2,(H,21,26);2*1H/t16-,17-;;/m0../s1
InChIKeyUCZUBYVBGSBFOK-SZKOKKDDSA-N
MW468.50 g/mol
LogP1.75
Rot. Bonds3

About N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride

N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride (PubChem CID 67507050) has the molecular formula C19H35Cl2N5O2S and a molecular weight of 468.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride
PubChem CID67507050
Molecular FormulaC19H35Cl2N5O2S
Molecular Weight468.50 g/mol
Exact Mass467.19
IUPAC NameN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C19H33N5O2S.2ClH/c25-18(24-10-11-27-14-24)17-12-16(13-20-17)22-6-8-23(9-7-22)19(26)21-15-4-2-1-3-5-15;;/h15-17,20H,1-14H2,(H,21,26);2*1H/t16-,17-;;/m0../s1
InChIKeyUCZUBYVBGSBFOK-SZKOKKDDSA-N
XLogP1.75
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride (CID 67507050) is N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCCC1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1.
What is the InChIKey of N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride?
The InChIKey is UCZUBYVBGSBFOK-SZKOKKDDSA-N. The full InChI is InChI=1S/C19H33N5O2S.2ClH/c25-18(24-10-11-27-14-24)17-12-16(13-20-17)22-6-8-23(9-7-22)19(26)21-15-4-2-1-3-5-15;;/h15-17,20H,1-14H2,(H,21,26);2*1H/t16-,17-;;/m0../s1.
What are the key properties of N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride?
N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride has a molecular weight of 468.50 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 67507050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).