2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide

C14H13N3O3S — CID 86872796

IUPAC2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cs1
InChIInChI=1S/C14H13N3O3S/c1-20-6-12-17-11(7-21-12)14(19)16-9-3-2-8-5-15-13(18)10(8)4-9/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyHYDPKJAWUFZXFL-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86872796) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID86872796
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cs1
InChIInChI=1S/C14H13N3O3S/c1-20-6-12-17-11(7-21-12)14(19)16-9-3-2-8-5-15-13(18)10(8)4-9/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyHYDPKJAWUFZXFL-UHFFFAOYSA-N
XLogP1.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 47425875
1-benzyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)triazole-4-carboxamide
CID 86872730
N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 86847511
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
2-methylsulfonyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide
CID 86872690
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 48574705
(2S)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95342420
(2R)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94829105
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide (CID 86872796) is 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HYDPKJAWUFZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-6-12-17-11(7-21-12)14(19)16-9-3-2-8-5-15-13(18)10(8)4-9/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86872796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).