methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C23H19N3O4S — CID 121065421

IUPACmethyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C23H19N3O4S/c1-29-23(28)26-22-25-20(16-8-3-2-4-9-16)21(31-22)24-19(27)14-30-18-12-11-15-7-5-6-10-17(15)13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26,28)
InChIKeySHSNKCRXGONWGR-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.16
Rot. Bonds6

About methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065421) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065421
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Namemethyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C23H19N3O4S/c1-29-23(28)26-22-25-20(16-8-3-2-4-9-16)21(31-22)24-19(27)14-30-18-12-11-15-7-5-6-10-17(15)13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26,28)
InChIKeySHSNKCRXGONWGR-UHFFFAOYSA-N
XLogP5.16
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-phenyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-1,3-thiazol-2-yl]carbamate
CID 121065480
methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065435
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
methyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065459
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065351
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065421) is methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(NC(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is SHSNKCRXGONWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-29-23(28)26-22-25-20(16-8-3-2-4-9-16)21(31-22)24-19(27)14-30-18-12-11-15-7-5-6-10-17(15)13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 433.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).