4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

C13H14N2S — CID 175743104

IUPAC4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CCN(c3cscn3)C2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-11(5-3-1)12-6-7-15(8-12)13-9-16-10-14-13/h1-5,9-10,12H,6-8H2
InChIKeyGUYZTWNBTUPMQB-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.14
Rot. Bonds2

About 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 175743104) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID175743104
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CCN(c3cscn3)C2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-11(5-3-1)12-6-7-15(8-12)13-9-16-10-14-13/h1-5,9-10,12H,6-8H2
InChIKeyGUYZTWNBTUPMQB-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115
5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652395
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
5-chloro-4-(chloromethyl)-2-(3-phenylpyrrolidin-1-yl)pyridine
CID 114921014
4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 78984004
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469
N-methyl-1-[6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285538
N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80822558
[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62298745
1-[(3S)-3-phenylpyrrolidin-1-yl]isoquinolin-4-amine
CID 139559682

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (CID 175743104) is 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is c1ccc(C2CCN(c3cscn3)C2)cc1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is GUYZTWNBTUPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-11(5-3-1)12-6-7-15(8-12)13-9-16-10-14-13/h1-5,9-10,12H,6-8H2.
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 230.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 175743104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).