(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine

C18H19N3OS — CID 120761907

IUPAC(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19N3OS/c19-16-11-21(10-15(16)13-5-2-1-3-6-13)9-14-12-23-18(20-14)17-7-4-8-22-17/h1-8,12,15-16H,9-11,19H2/t15-,16+/m0/s1
InChIKeySUOLXVLYMIDAPU-JKSUJKDBSA-N
MW325.44 g/mol
LogP3.33
Rot. Bonds4

About (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120761907) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120761907
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19N3OS/c19-16-11-21(10-15(16)13-5-2-1-3-6-13)9-14-12-23-18(20-14)17-7-4-8-22-17/h1-8,12,15-16H,9-11,19H2/t15-,16+/m0/s1
InChIKeySUOLXVLYMIDAPU-JKSUJKDBSA-N
XLogP3.33
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.33
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)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760389
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760388
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
2-(furan-2-yl)-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 138001376

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine (CID 120761907) is (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is SUOLXVLYMIDAPU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H19N3OS/c19-16-11-21(10-15(16)13-5-2-1-3-6-13)9-14-12-23-18(20-14)17-7-4-8-22-17/h1-8,12,15-16H,9-11,19H2/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 325.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120761907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).