(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide

C18H19N3O4S — CID 100753875

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide
SMILESCOc1cnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C18H19N3O4S/c1-10(2)8-13(15(22)20-18-19-9-14(25-3)26-18)21-16(23)11-6-4-5-7-12(11)17(21)24/h4-7,9-10,13H,8H2,1-3H3,(H,19,20,22)/t13-/m0/s1
InChIKeyWMZOHXMGXWXWRL-ZDUSSCGKSA-N
MW373.43 g/mol
LogP2.80
Rot. Bonds6

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide (PubChem CID 100753875) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide
PubChem CID100753875
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide
SMILESCOc1cnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C18H19N3O4S/c1-10(2)8-13(15(22)20-18-19-9-14(25-3)26-18)21-16(23)11-6-4-5-7-12(11)17(21)24/h4-7,9-10,13H,8H2,1-3H3,(H,19,20,22)/t13-/m0/s1
InChIKeyWMZOHXMGXWXWRL-ZDUSSCGKSA-N
XLogP2.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.80
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]pyridine-4-carboxylate
CID 108755491
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55540035
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110418001
methyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methoxy-6-methylhept-2-enoate
CID 67404353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide (CID 100753875) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide is COc1cnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide?
The InChIKey is WMZOHXMGXWXWRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10(2)8-13(15(22)20-18-19-9-14(25-3)26-18)21-16(23)11-6-4-5-7-12(11)17(21)24/h4-7,9-10,13H,8H2,1-3H3,(H,19,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide has a molecular weight of 373.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 100753875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).