N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine

C17H25N5S — CID 20926615

IUPACN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine
SMILESc1cc(CNC2CCCCC2)n(-c2nnc(N3CCCC3)s2)c1
InChIInChI=1S/C17H25N5S/c1-2-7-14(8-3-1)18-13-15-9-6-12-22(15)17-20-19-16(23-17)21-10-4-5-11-21/h6,9,12,14,18H,1-5,7-8,10-11,13H2
InChIKeyAAYGBMGJAGKAMD-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.35
Rot. Bonds5

About N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine

N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine (PubChem CID 20926615) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine
PubChem CID20926615
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine
SMILESc1cc(CNC2CCCCC2)n(-c2nnc(N3CCCC3)s2)c1
InChIInChI=1S/C17H25N5S/c1-2-7-14(8-3-1)18-13-15-9-6-12-22(15)17-20-19-16(23-17)21-10-4-5-11-21/h6,9,12,14,18H,1-5,7-8,10-11,13H2
InChIKeyAAYGBMGJAGKAMD-UHFFFAOYSA-N
XLogP3.35
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine 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-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine (CID 20926615) is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine is c1cc(CNC2CCCCC2)n(-c2nnc(N3CCCC3)s2)c1.
What is the InChIKey of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine?
The InChIKey is AAYGBMGJAGKAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-7-14(8-3-1)18-13-15-9-6-12-22(15)17-20-19-16(23-17)21-10-4-5-11-21/h6,9,12,14,18H,1-5,7-8,10-11,13H2.
What are the key properties of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine?
N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine has a molecular weight of 331.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 20926615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).