ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate

C21H22N2O4S — CID 86642357

IUPACethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)(C)Oc2cccc3ccccc23)n1
InChIInChI=1S/C21H22N2O4S/c1-4-26-18(24)12-15-13-28-20(22-15)23-19(25)21(2,3)27-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13H,4,12H2,1-3H3,(H,22,23,25)
InChIKeyACVVHZZCMGCQSF-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.20
Rot. Bonds7

About ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 86642357) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID86642357
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Nameethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)(C)Oc2cccc3ccccc23)n1
InChIInChI=1S/C21H22N2O4S/c1-4-26-18(24)12-15-13-28-20(22-15)23-19(25)21(2,3)27-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13H,4,12H2,1-3H3,(H,22,23,25)
InChIKeyACVVHZZCMGCQSF-UHFFFAOYSA-N
XLogP4.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623819
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 87418022
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate (CID 86642357) is ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(C)(C)Oc2cccc3ccccc23)n1.
What is the InChIKey of ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ACVVHZZCMGCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-26-18(24)12-15-13-28-20(22-15)23-19(25)21(2,3)27-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13H,4,12H2,1-3H3,(H,22,23,25).
What are the key properties of ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 398.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 86642357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).