3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C21H25N3O2S — CID 10271316

IUPAC3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H25N3O2S/c25-19(23-21-22-11-12-27-21)18(13-15-7-3-1-2-4-8-15)24-14-16-9-5-6-10-17(16)20(24)26/h5-6,9-12,15,18H,1-4,7-8,13-14H2,(H,22,23,25)
InChIKeyCRJFRTOZGDAQPG-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.47
Rot. Bonds5

About 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10271316) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10271316
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H25N3O2S/c25-19(23-21-22-11-12-27-21)18(13-15-7-3-1-2-4-8-15)24-14-16-9-5-6-10-17(16)20(24)26/h5-6,9-12,15,18H,1-4,7-8,13-14H2,(H,22,23,25)
InChIKeyCRJFRTOZGDAQPG-UHFFFAOYSA-N
XLogP4.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
CID 3571092
N-benzyl-4-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-oxopiperazine-1-carboxamide
CID 87418371
(2S)-3-cyclohexyl-2-(2-oxo-4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 25071822
4-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-N-naphthalen-2-yl-3-oxopiperazine-1-carboxamide
CID 76585085
(2S)-3-cyclohexyl-2-(2-oxo-4-propan-2-ylsulfonylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 25070876
4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide
CID 1480143
2-[4-(1-benzothiophen-2-ylsulfonyl)-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 76585028
(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 70674450
(2S)-3-cyclohexyl-2-[2-oxo-4-(pyrazol-1-ylmethylsulfonyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71579837
(2S)-3-cyclohexyl-2-[4-(2,5-dichlorophenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25070549
[4-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-oxopiperazin-1-yl]-[(4-fluorophenyl)methyl]-oxoazanium
CID 145480384

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 10271316) is 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCCCC1)N1Cc2ccccc2C1=O.
What is the InChIKey of 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CRJFRTOZGDAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-19(23-21-22-11-12-27-21)18(13-15-7-3-1-2-4-8-15)24-14-16-9-5-6-10-17(16)20(24)26/h5-6,9-12,15,18H,1-4,7-8,13-14H2,(H,22,23,25).
What are the key properties of 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 383.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10271316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).