N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H21N5OS — CID 142415493

IUPACN-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3cccc4nccn34)C2)s1
InChIInChI=1S/C18H21N5OS/c1-13(24)21-18-20-10-16(25-18)12-22-7-5-14(11-22)9-15-3-2-4-17-19-6-8-23(15)17/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3,(H,20,21,24)/t14-/m1/s1
InChIKeyJIZBLIUIFUWYLO-CQSZACIVSA-N
MW355.47 g/mol
LogP2.81
Rot. Bonds5

About N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415493) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415493
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3cccc4nccn34)C2)s1
InChIInChI=1S/C18H21N5OS/c1-13(24)21-18-20-10-16(25-18)12-22-7-5-14(11-22)9-15-3-2-4-17-19-6-8-23(15)17/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3,(H,20,21,24)/t14-/m1/s1
InChIKeyJIZBLIUIFUWYLO-CQSZACIVSA-N
XLogP2.81
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415493) is N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@H](Cc3cccc4nccn34)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JIZBLIUIFUWYLO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13(24)21-18-20-10-16(25-18)12-22-7-5-14(11-22)9-15-3-2-4-17-19-6-8-23(15)17/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3,(H,20,21,24)/t14-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).