N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine

C21H22N2O2S — CID 23796102

IUPACN-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2ccccc2)n1CC1CCCO1
InChIInChI=1S/C21H22N2O2S/c1-24-20-12-6-5-11-18(20)22-21-23(14-17-10-7-13-25-17)19(15-26-21)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3/b22-21-
InChIKeyYBWWWYIJORKHQU-DQRAZIAOSA-N
MW366.49 g/mol
LogP4.64
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine

N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23796102) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID23796102
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2ccccc2)n1CC1CCCO1
InChIInChI=1S/C21H22N2O2S/c1-24-20-12-6-5-11-18(20)22-21-23(14-17-10-7-13-25-17)19(15-26-21)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3/b22-21-
InChIKeyYBWWWYIJORKHQU-DQRAZIAOSA-N
XLogP4.64
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
6-[2-(2-methoxyphenyl)imino-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2645606
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23793851
4-(1-benzofuran-2-yl)-N-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23762496
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7720864
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 3432436
N,N-dimethyl-4-[3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 27350353
N,N-dimethyl-4-[3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5245119
3-(oxolan-2-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3525288
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine (CID 23796102) is N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine is COc1ccccc1/N=c1\scc(-c2ccccc2)n1CC1CCCO1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is YBWWWYIJORKHQU-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-24-20-12-6-5-11-18(20)22-21-23(14-17-10-7-13-25-17)19(15-26-21)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3/b22-21-.
What are the key properties of N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine?
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 366.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23796102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).