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

C15H17ClN2OS — CID 99932250

IUPAC2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccc(CN2CCC[C@H]2c2nccs2)cc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-19-14-5-4-11(9-12(14)16)10-18-7-2-3-13(18)15-17-6-8-20-15/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyIXBPOXXLNJXGLT-ZDUSSCGKSA-N
MW308.83 g/mol
LogP4.14
Rot. Bonds4

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

2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 99932250) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID99932250
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccc(CN2CCC[C@H]2c2nccs2)cc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-19-14-5-4-11(9-12(14)16)10-18-7-2-3-13(18)15-17-6-8-20-15/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyIXBPOXXLNJXGLT-ZDUSSCGKSA-N
XLogP4.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338
2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol
CID 129403491
6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 126467486
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129492346
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45179469
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 99932250) is 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole is COc1ccc(CN2CCC[C@H]2c2nccs2)cc1Cl.
What is the InChIKey of 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is IXBPOXXLNJXGLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-19-14-5-4-11(9-12(14)16)10-18-7-2-3-13(18)15-17-6-8-20-15/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 308.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99932250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).