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

C14H21N5S — CID 20926611

IUPACN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C14H21N5S/c1-2-7-15-11-12-6-5-10-19(12)14-17-16-13(20-14)18-8-3-4-9-18/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyWIZPVNCSCPQKQE-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.43
Rot. Bonds6

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

N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 20926611) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine
PubChem CID20926611
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C14H21N5S/c1-2-7-15-11-12-6-5-10-19(12)14-17-16-13(20-14)18-8-3-4-9-18/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyWIZPVNCSCPQKQE-UHFFFAOYSA-N
XLogP2.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]propan-1-amine?
The IUPAC name of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine (CID 20926611) is N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine is CCCNCc1cccn1-c1nnc(N2CCCC2)s1.
What is the InChIKey of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is WIZPVNCSCPQKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-2-7-15-11-12-6-5-10-19(12)14-17-16-13(20-14)18-8-3-4-9-18/h5-6,10,15H,2-4,7-9,11H2,1H3.
What are the key properties of N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine?
N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.43, 6 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]propan-1-amine is sourced from PubChem (CID 20926611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).