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

C14H17N3S — CID 114264472

IUPAC[(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(c2nccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H17N3S/c15-8-12-9-17(14-16-6-7-18-14)10-13(12)11-4-2-1-3-5-11/h1-7,12-13H,8-10,15H2/t12-,13+/m1/s1
InChIKeySGOHDKFRQSXJJA-OLZOCXBDSA-N
MW259.38 g/mol
LogP2.32
Rot. Bonds3

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

[(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 114264472) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID114264472
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name[(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(c2nccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H17N3S/c15-8-12-9-17(14-16-6-7-18-14)10-13(12)11-4-2-1-3-5-11/h1-7,12-13H,8-10,15H2/t12-,13+/m1/s1
InChIKeySGOHDKFRQSXJJA-OLZOCXBDSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 120745997
1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
CID 91623902
[(3R,4R)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769339
2-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137079287
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
[6-methyl-4-(1,3-thiazol-2-yl)morpholin-2-yl]methanamine
CID 102938684
[(3R,4R)-4-phenyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120769343
[(3R,4R)-4-phenyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769288
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 120742858
2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole
CID 97137344
[(3R,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769803

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (CID 114264472) is [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is NC[C@@H]1CN(c2nccs2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is SGOHDKFRQSXJJA-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17N3S/c15-8-12-9-17(14-16-6-7-18-14)10-13(12)11-4-2-1-3-5-11/h1-7,12-13H,8-10,15H2/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).