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

C19H33N5O2S — CID 67507051

IUPACN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C19H33N5O2S/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)/t16-,17-/m0/s1
InChIKeyLCYVSQQHTKCTHZ-IRXDYDNUSA-N
MW395.57 g/mol
LogP0.91
Rot. Bonds3

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

N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 67507051) has the molecular formula C19H33N5O2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID67507051
Molecular FormulaC19H33N5O2S
Molecular Weight395.57 g/mol
Exact Mass395.24
IUPAC NameN-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C19H33N5O2S/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)/t16-,17-/m0/s1
InChIKeyLCYVSQQHTKCTHZ-IRXDYDNUSA-N
XLogP0.91
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 50.91
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 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?
The IUPAC name of N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide (CID 67507051) is N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide is 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?
The InChIKey is LCYVSQQHTKCTHZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H33N5O2S/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)/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?
N-cyclohexyl-4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 0.91, 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 is sourced from PubChem (CID 67507051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).