methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate

C14H11N3O4S — CID 1252123

IUPACmethyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C14H11N3O4S/c1-21-14(20)16-13-15-6-8(22-13)7-17-11(18)9-4-2-3-5-10(9)12(17)19/h2-6H,7H2,1H3,(H,15,16,20)
InChIKeyJMWAVUFYSOMGOI-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.12
Rot. Bonds3

About methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate

methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 1252123) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID1252123
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Namemethyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C14H11N3O4S/c1-21-14(20)16-13-15-6-8(22-13)7-17-11(18)9-4-2-3-5-10(9)12(17)19/h2-6H,7H2,1H3,(H,15,16,20)
InChIKeyJMWAVUFYSOMGOI-UHFFFAOYSA-N
XLogP2.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 700307
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 2233097
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673074
1,3-dioxo-2-propyl-N-1,3-thiazol-2-yl-5-isoindolinecarboxamide
CID 888554
2-ethyl-1,3-dioxo-N-1,3-thiazol-2-yl-5-isoindolinecarboxamide
CID 2200051
2-(2-methoxyethyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2229030
2-[[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione
CID 1481669
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 655385
7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-heptanoic acid thiazol-2-ylamide
CID 3148603
2-(1,3-dioxoisoindolin-2-yl)-4-methyl-N-(thiazol-2-yl)pentanamide
CID 2831706
N-(2-Thiazolyl)phthalimide
CID 246387

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate (CID 1252123) is methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is JMWAVUFYSOMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-21-14(20)16-13-15-6-8(22-13)7-17-11(18)9-4-2-3-5-10(9)12(17)19/h2-6H,7H2,1H3,(H,15,16,20).
What are the key properties of methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 317.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 1252123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).