N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine

C19H19ClN2O2S — CID 66542324

IUPACN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCOc1cc(CNc2nccs2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-2-23-17-10-15(12-22-19-21-8-9-25-19)16(20)11-18(17)24-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,22)
InChIKeyQQUIMXYKQLDEGK-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.39
Rot. Bonds8

About N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 66542324) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID66542324
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCOc1cc(CNc2nccs2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-2-23-17-10-15(12-22-19-21-8-9-25-19)16(20)11-18(17)24-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,22)
InChIKeyQQUIMXYKQLDEGK-UHFFFAOYSA-N
XLogP5.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 66542769
N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 66541797
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
CID 66542788
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 66542324) is N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine is CCOc1cc(CNc2nccs2)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is QQUIMXYKQLDEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-2-23-17-10-15(12-22-19-21-8-9-25-19)16(20)11-18(17)24-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 374.89 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 66542324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).