[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

C19H21N3S2 — CID 120769416

IUPAC[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cnc(-c3ccsc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3S2/c20-8-16-10-22(12-18(16)14-4-2-1-3-5-14)11-17-9-21-19(24-17)15-6-7-23-13-15/h1-7,9,13,16,18H,8,10-12,20H2/t16-,18+/m1/s1
InChIKeyNJZJYMHRKXGSOK-AEFFLSMTSA-N
MW355.53 g/mol
LogP4.05
Rot. Bonds5

About [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120769416) has the molecular formula C19H21N3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120769416
Molecular FormulaC19H21N3S2
Molecular Weight355.53 g/mol
Exact Mass355.12
IUPAC Name[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cnc(-c3ccsc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3S2/c20-8-16-10-22(12-18(16)14-4-2-1-3-5-14)11-17-9-21-19(24-17)15-6-7-23-13-15/h1-7,9,13,16,18H,8,10-12,20H2/t16-,18+/m1/s1
InChIKeyNJZJYMHRKXGSOK-AEFFLSMTSA-N
XLogP4.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-4-phenyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769288
[(3R,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769803
[(3R,4R)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769339
[(3R,4R)-4-phenyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967267
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945
[(3R,4R)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769765
[(3R,4R)-4-phenyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120769343
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120741704
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769839
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481
[(3R,4R)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758662

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120769416) is [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2cnc(-c3ccsc3)s2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is NJZJYMHRKXGSOK-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H21N3S2/c20-8-16-10-22(12-18(16)14-4-2-1-3-5-14)11-17-9-21-19(24-17)15-6-7-23-13-15/h1-7,9,13,16,18H,8,10-12,20H2/t16-,18+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 355.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).