1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone

C15H18N4OS — CID 177202631

IUPAC1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2ccc(N3CCC(N4CCC4)C3)nc2s1
InChIInChI=1S/C15H18N4OS/c1-10(20)14-16-12-3-4-13(17-15(12)21-14)19-8-5-11(9-19)18-6-2-7-18/h3-4,11H,2,5-9H2,1H3
InChIKeySKYIOEVXAPIMEG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.18
Rot. Bonds3

About 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone

1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone (PubChem CID 177202631) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone
PubChem CID177202631
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2ccc(N3CCC(N4CCC4)C3)nc2s1
InChIInChI=1S/C15H18N4OS/c1-10(20)14-16-12-3-4-13(17-15(12)21-14)19-8-5-11(9-19)18-6-2-7-18/h3-4,11H,2,5-9H2,1H3
InChIKeySKYIOEVXAPIMEG-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 177202634
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63169284
5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 170747771
3-amino-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 103468387
6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
CID 177202616
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747701
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63168560

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone (CID 177202631) is 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone is CC(=O)c1nc2ccc(N3CCC(N4CCC4)C3)nc2s1.
What is the InChIKey of 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone?
The InChIKey is SKYIOEVXAPIMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(20)14-16-12-3-4-13(17-15(12)21-14)19-8-5-11(9-19)18-6-2-7-18/h3-4,11H,2,5-9H2,1H3.
What are the key properties of 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone?
1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 177202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).