[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

C20H22ClN2O2S+ — CID 8598527

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
SMILESCOc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3Cl)cs2)c1OC
InChIInChI=1S/C20H21ClN2O2S/c1-13(15-7-4-5-9-17(15)21)22-11-14-12-26-20(23-14)16-8-6-10-18(24-2)19(16)25-3/h4-10,12-13,22H,11H2,1-3H3/p+1/t13-/m0/s1
InChIKeySVJKFIUQOPXBSG-ZDUSSCGKSA-O
MW389.93 g/mol
LogP4.31
Rot. Bonds7

About [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium (PubChem CID 8598527) has the molecular formula C20H22ClN2O2S+ and a molecular weight of 389.93 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
PubChem CID8598527
Molecular FormulaC20H22ClN2O2S+
Molecular Weight389.93 g/mol
Exact Mass389.11
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
SMILESCOc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3Cl)cs2)c1OC
InChIInChI=1S/C20H21ClN2O2S/c1-13(15-7-4-5-9-17(15)21)22-11-14-12-26-20(23-14)16-8-6-10-18(24-2)19(16)25-3/h4-10,12-13,22H,11H2,1-3H3/p+1/t13-/m0/s1
InChIKeySVJKFIUQOPXBSG-ZDUSSCGKSA-O
XLogP4.31
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium with MolForge

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 9306542
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 7431881
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 55306942
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one
CID 46583665
2-(2,3-dimethoxyphenyl)-4-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazole
CID 7403150
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium (CID 8598527) is [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium is COc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3Cl)cs2)c1OC.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
The InChIKey is SVJKFIUQOPXBSG-ZDUSSCGKSA-O. The full InChI is InChI=1S/C20H21ClN2O2S/c1-13(15-7-4-5-9-17(15)21)22-11-14-12-26-20(23-14)16-8-6-10-18(24-2)19(16)25-3/h4-10,12-13,22H,11H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium has a molecular weight of 389.93 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium is sourced from PubChem (CID 8598527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).