2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C14H16N2OS — CID 104928786

IUPAC2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H16N2OS/c1-17-13-7-3-2-5-10(13)14-16-12(9-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3/t11-/m0/s1
InChIKeyIHRMNCKBUSGCIW-NSHDSACASA-N
MW260.36 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104928786) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104928786
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H16N2OS/c1-17-13-7-3-2-5-10(13)14-16-12(9-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3/t11-/m0/s1
InChIKeyIHRMNCKBUSGCIW-NSHDSACASA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
CID 46785770
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
2-(2-methoxyphenyl)-4,6-dimethyl-5-pyrrolidin-2-ylpyrimidine
CID 115069875
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
4-methoxy-2-pyrrolidin-2-ylquinoline
CID 3320463
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104928786) is 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is COc1ccccc1-c1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is IHRMNCKBUSGCIW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-13-7-3-2-5-10(13)14-16-12(9-18-14)11-6-4-8-15-11/h2-3,5,7,9,11,15H,4,6,8H2,1H3/t11-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 260.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104928786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).