(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

C16H20N4O2S — CID 97096563

IUPAC(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1nccs1
InChIInChI=1S/C16H20N4O2S/c1-2-14(15-18-7-9-23-15)19-16(21)20-8-5-13(11-20)22-12-4-3-6-17-10-12/h3-4,6-7,9-10,13-14H,2,5,8,11H2,1H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyFDQKOLHAQHLTHO-KBPBESRZSA-N
MW332.43 g/mol
LogP2.85
Rot. Bonds5

About (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 97096563) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID97096563
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1nccs1
InChIInChI=1S/C16H20N4O2S/c1-2-14(15-18-7-9-23-15)19-16(21)20-8-5-13(11-20)22-12-4-3-6-17-10-12/h3-4,6-7,9-10,13-14H,2,5,8,11H2,1H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyFDQKOLHAQHLTHO-KBPBESRZSA-N
XLogP2.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (CID 97096563) is (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is CC[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1nccs1.
What is the InChIKey of (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is FDQKOLHAQHLTHO-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-14(15-18-7-9-23-15)19-16(21)20-8-5-13(11-20)22-12-4-3-6-17-10-12/h3-4,6-7,9-10,13-14H,2,5,8,11H2,1H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97096563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).