2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole

C19H19N3S — CID 166803869

IUPAC2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole
SMILESc1ccc([C@@H]2CNC[C@H]2Cc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C19H19N3S/c1-2-5-14(6-3-1)17-12-21-11-16(17)9-19-22-18(13-23-19)15-7-4-8-20-10-15/h1-8,10,13,16-17,21H,9,11-12H2/t16-,17+/m1/s1
InChIKeyGNANGUNOJQBNMQ-SJORKVTESA-N
MW321.45 g/mol
LogP3.75
Rot. Bonds4

About 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole

2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole (PubChem CID 166803869) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole
PubChem CID166803869
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole
SMILESc1ccc([C@@H]2CNC[C@H]2Cc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C19H19N3S/c1-2-5-14(6-3-1)17-12-21-11-16(17)9-19-22-18(13-23-19)15-7-4-8-20-10-15/h1-8,10,13,16-17,21H,9,11-12H2/t16-,17+/m1/s1
InChIKeyGNANGUNOJQBNMQ-SJORKVTESA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116968758
2-[(2-chlorocycloheptyl)methyl]-4-phenyl-1,3-thiazole
CID 79816966
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid
CID 166790367
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole (CID 166803869) is 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole is c1ccc([C@@H]2CNC[C@H]2Cc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is GNANGUNOJQBNMQ-SJORKVTESA-N. The full InChI is InChI=1S/C19H19N3S/c1-2-5-14(6-3-1)17-12-21-11-16(17)9-19-22-18(13-23-19)15-7-4-8-20-10-15/h1-8,10,13,16-17,21H,9,11-12H2/t16-,17+/m1/s1.
What are the key properties of 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole?
2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 321.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 166803869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).