2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide

C17H23N3O3S — CID 100707008

IUPAC2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1cnc([C@H](C)O)s1
InChIInChI=1S/C17H23N3O3S/c1-4-20(10-13-9-18-17(24-13)12(2)21)11-16(22)19-14-7-5-6-8-15(14)23-3/h5-9,12,21H,4,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyNYKDSYHRGXOJSK-LBPRGKRZSA-N
MW349.46 g/mol
LogP2.67
Rot. Bonds8

About 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide

2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 100707008) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID100707008
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1cnc([C@H](C)O)s1
InChIInChI=1S/C17H23N3O3S/c1-4-20(10-13-9-18-17(24-13)12(2)21)11-16(22)19-14-7-5-6-8-15(14)23-3/h5-9,12,21H,4,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyNYKDSYHRGXOJSK-LBPRGKRZSA-N
XLogP2.67
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 120750508
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 87013252
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide (CID 100707008) is 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)Cc1cnc([C@H](C)O)s1.
What is the InChIKey of 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NYKDSYHRGXOJSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-20(10-13-9-18-17(24-13)12(2)21)11-16(22)19-14-7-5-6-8-15(14)23-3/h5-9,12,21H,4,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 100707008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).