N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine

C13H16N4S — CID 107649170

IUPACN-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine
SMILESc1ccc(N2CCCC2)c(CNc2cnns2)c1
InChIInChI=1S/C13H16N4S/c1-2-6-12(17-7-3-4-8-17)11(5-1)9-14-13-10-15-16-18-13/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeySWZKYYVFAGWVSI-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.75
Rot. Bonds4

About N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine

N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine (PubChem CID 107649170) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine
PubChem CID107649170
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine
SMILESc1ccc(N2CCCC2)c(CNc2cnns2)c1
InChIInChI=1S/C13H16N4S/c1-2-6-12(17-7-3-4-8-17)11(5-1)9-14-13-10-15-16-18-13/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeySWZKYYVFAGWVSI-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961154
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 106834182

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine (CID 107649170) is N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine is c1ccc(N2CCCC2)c(CNc2cnns2)c1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine?
The InChIKey is SWZKYYVFAGWVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-6-12(17-7-3-4-8-17)11(5-1)9-14-13-10-15-16-18-13/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine?
N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine has a molecular weight of 260.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylphenyl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).