(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine

C13H16N4S — CID 120769866

IUPAC(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccccc1
InChIInChI=1S/C13H16N4S/c14-13-8-17(6-11-9-18-16-15-11)7-12(13)10-4-2-1-3-5-10/h1-5,9,12-13H,6-8,14H2/t12-,13+/m0/s1
InChIKeyDRFBXTLODVWCLZ-QWHCGFSZSA-N
MW260.37 g/mol
LogP1.46
Rot. Bonds3

About (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine

(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 120769866) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
PubChem CID120769866
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccccc1
InChIInChI=1S/C13H16N4S/c14-13-8-17(6-11-9-18-16-15-11)7-12(13)10-4-2-1-3-5-10/h1-5,9,12-13H,6-8,14H2/t12-,13+/m0/s1
InChIKeyDRFBXTLODVWCLZ-QWHCGFSZSA-N
XLogP1.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770225
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761907
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770036
(3S,4R)-4-phenyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120846765
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
CID 120770280
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
(3S,4R)-1-[(5-bromothiophen-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760875
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine (CID 120769866) is (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine is N[C@@H]1CN(Cc2csnn2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is DRFBXTLODVWCLZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H16N4S/c14-13-8-17(6-11-9-18-16-15-11)7-12(13)10-4-2-1-3-5-10/h1-5,9,12-13H,6-8,14H2/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 260.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 120769866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).