2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone

C18H22ClN3O3S — CID 19644554

IUPAC2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCOc1cc(CNc2nccs2)cc(Cl)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C18H22ClN3O3S/c1-24-15-10-13(11-21-18-20-5-8-26-18)9-14(19)17(15)25-12-16(23)22-6-3-2-4-7-22/h5,8-10H,2-4,6-7,11-12H2,1H3,(H,20,21)
InChIKeyIUYAMXXJCSHPMV-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.81
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone

2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 19644554) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID19644554
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCOc1cc(CNc2nccs2)cc(Cl)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C18H22ClN3O3S/c1-24-15-10-13(11-21-18-20-5-8-26-18)9-14(19)17(15)25-12-16(23)22-6-3-2-4-7-22/h5,8-10H,2-4,6-7,11-12H2,1H3,(H,20,21)
InChIKeyIUYAMXXJCSHPMV-UHFFFAOYSA-N
XLogP3.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 2991415
2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43276589
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 104664230
2-(azepan-1-yl)-N-[4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]phenyl]acetamide
CID 112839502
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
methyl 2-[2-chloro-6-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetate
CID 19644348
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 834045
2-[2-chloro-6-methoxy-4-[[(1-methylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 119113223
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone (CID 19644554) is 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone is COc1cc(CNc2nccs2)cc(Cl)c1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is IUYAMXXJCSHPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-24-15-10-13(11-21-18-20-5-8-26-18)9-14(19)17(15)25-12-16(23)22-6-3-2-4-7-22/h5,8-10H,2-4,6-7,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 395.91 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 19644554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).