N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide

C18H21N3O3S — CID 136585052

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H21N3O3S/c22-14-9-21(10-15(14)24-12-5-2-1-3-6-12)11-17(23)20-18-19-13-7-4-8-16(13)25-18/h1-3,5-6,14-15,22H,4,7-11H2,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyXPADDLYXPGRECE-HUUCEWRRSA-N
MW359.45 g/mol
LogP1.69
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide (PubChem CID 136585052) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide
PubChem CID136585052
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H21N3O3S/c22-14-9-21(10-15(14)24-12-5-2-1-3-6-12)11-17(23)20-18-19-13-7-4-8-16(13)25-18/h1-3,5-6,14-15,22H,4,7-11H2,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyXPADDLYXPGRECE-HUUCEWRRSA-N
XLogP1.69
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 120759166
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 155991921
2-(4-aminopiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 79328104
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 136544109
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760394
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxypropanamide
CID 3302085
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
(2R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxy-2-phenylacetamide
CID 97311644
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
2-(5-amino-2-oxo-1-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 62816537

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide (CID 136585052) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide is O=C(CN1C[C@@H](O)[C@H](Oc2ccccc2)C1)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide?
The InChIKey is XPADDLYXPGRECE-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-14-9-21(10-15(14)24-12-5-2-1-3-6-12)11-17(23)20-18-19-13-7-4-8-16(13)25-18/h1-3,5-6,14-15,22H,4,7-11H2,(H,19,20,23)/t14-,15-/m1/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136585052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).