(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C17H22N4O2S — CID 97059507

IUPAC(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CC[C@H](Oc3cccnc3)C2)s1
InChIInChI=1S/C17H22N4O2S/c1-2-15-11-20-16(24-15)5-8-19-17(22)21-9-6-14(12-21)23-13-4-3-7-18-10-13/h3-4,7,10-11,14H,2,5-6,8-9,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRYPZIFYMENSGCH-AWEZNQCLSA-N
MW346.46 g/mol
LogP2.51
Rot. Bonds6

About (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97059507) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97059507
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CC[C@H](Oc3cccnc3)C2)s1
InChIInChI=1S/C17H22N4O2S/c1-2-15-11-20-16(24-15)5-8-19-17(22)21-9-6-14(12-21)23-13-4-3-7-18-10-13/h3-4,7,10-11,14H,2,5-6,8-9,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyRYPZIFYMENSGCH-AWEZNQCLSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 124852502
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(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 96522626
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227591
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97059507) is (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is CCc1cnc(CCNC(=O)N2CC[C@H](Oc3cccnc3)C2)s1.
What is the InChIKey of (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is RYPZIFYMENSGCH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-15-11-20-16(24-15)5-8-19-17(22)21-9-6-14(12-21)23-13-4-3-7-18-10-13/h3-4,7,10-11,14H,2,5-6,8-9,12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97059507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).