5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

C17H25N3O3S — CID 128912509

IUPAC5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESO=C(Nc1ncc(C2CCOCC2)s1)N1CC2CCC(O)CC2C1
InChIInChI=1S/C17H25N3O3S/c21-14-2-1-12-9-20(10-13(12)7-14)17(22)19-16-18-8-15(24-16)11-3-5-23-6-4-11/h8,11-14,21H,1-7,9-10H2,(H,18,19,22)
InChIKeyXCQYIAHMIPOXIL-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.66
Rot. Bonds2

About 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (PubChem CID 128912509) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
PubChem CID128912509
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESO=C(Nc1ncc(C2CCOCC2)s1)N1CC2CCC(O)CC2C1
InChIInChI=1S/C17H25N3O3S/c21-14-2-1-12-9-20(10-13(12)7-14)17(22)19-16-18-8-15(24-16)11-3-5-23-6-4-11/h8,11-14,21H,1-7,9-10H2,(H,18,19,22)
InChIKeyXCQYIAHMIPOXIL-UHFFFAOYSA-N
XLogP2.66
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128912506
3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094745
(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 167968785
1-[(1S)-2,2-dimethylcyclopropyl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128789968
N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
CID 167829767
2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide
CID 167932235
(3aR,4R,7S,7aS)-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 167841643
N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154868509
2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 128635594
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164880406
1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 138044983

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (CID 128912509) is 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is O=C(Nc1ncc(C2CCOCC2)s1)N1CC2CCC(O)CC2C1.
What is the InChIKey of 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The InChIKey is XCQYIAHMIPOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-14-2-1-12-9-20(10-13(12)7-14)17(22)19-16-18-8-15(24-16)11-3-5-23-6-4-11/h8,11-14,21H,1-7,9-10H2,(H,18,19,22).
What are the key properties of 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is sourced from PubChem (CID 128912509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).