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

C16H23N5S — CID 50759341

IUPACN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine
SMILESc1cc(CNC2CCCC2)n(-c2nnc(N3CCCC3)s2)c1
InChIInChI=1S/C16H23N5S/c1-2-7-13(6-1)17-12-14-8-5-11-21(14)16-19-18-15(22-16)20-9-3-4-10-20/h5,8,11,13,17H,1-4,6-7,9-10,12H2
InChIKeyDZHWUFNOISARAQ-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.96
Rot. Bonds5

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

N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine (PubChem CID 50759341) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine
PubChem CID50759341
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine
SMILESc1cc(CNC2CCCC2)n(-c2nnc(N3CCCC3)s2)c1
InChIInChI=1S/C16H23N5S/c1-2-7-13(6-1)17-12-14-8-5-11-21(14)16-19-18-15(22-16)20-9-3-4-10-20/h5,8,11,13,17H,1-4,6-7,9-10,12H2
InChIKeyDZHWUFNOISARAQ-UHFFFAOYSA-N
XLogP2.96
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]cyclopentanamine?
The IUPAC name of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine (CID 50759341) is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine is c1cc(CNC2CCCC2)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]cyclopentanamine?
The InChIKey is DZHWUFNOISARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-2-7-13(6-1)17-12-14-8-5-11-21(14)16-19-18-15(22-16)20-9-3-4-10-20/h5,8,11,13,17H,1-4,6-7,9-10,12H2.
What are the key properties of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine?
N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]cyclopentanamine has a molecular weight of 317.46 g/mol, XLogP of 2.96, 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]cyclopentanamine is sourced from PubChem (CID 50759341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).