N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 110133384

IUPACN-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCCC2)C[C@H]1O)c1cscn1
InChIInChI=1S/C13H19N3O2S/c17-12-6-16(9-3-1-2-4-9)5-10(12)15-13(18)11-7-19-8-14-11/h7-10,12,17H,1-6H2,(H,15,18)/t10-,12-/m1/s1
InChIKeyXNWZLWODHKINII-ZYHUDNBSSA-N
MW281.38 g/mol
LogP0.86
Rot. Bonds3

About N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 110133384) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID110133384
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCCC2)C[C@H]1O)c1cscn1
InChIInChI=1S/C13H19N3O2S/c17-12-6-16(9-3-1-2-4-9)5-10(12)15-13(18)11-7-19-8-14-11/h7-10,12,17H,1-6H2,(H,15,18)/t10-,12-/m1/s1
InChIKeyXNWZLWODHKINII-ZYHUDNBSSA-N
XLogP0.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopentylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 110462193
N-[(3R,4R)-4-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133380
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
4-chloro-N-[(3R,4R)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]benzamide
CID 70565949
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
N-cyclopentyloxy-1,3-thiazole-4-carboxamide
CID 83202530
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133407
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 128993823
N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103713530
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 110133384) is N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@@H]1CN(C2CCCC2)C[C@H]1O)c1cscn1.
What is the InChIKey of N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XNWZLWODHKINII-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12-6-16(9-3-1-2-4-9)5-10(12)15-13(18)11-7-19-8-14-11/h7-10,12,17H,1-6H2,(H,15,18)/t10-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-cyclopentyl-4-hydroxypyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110133384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).