2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

C15H19N3OS — CID 115648086

IUPAC2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2csc(-c3ccccn3)n2)C1
InChIInChI=1S/C15H19N3OS/c19-8-5-12-4-7-18(9-12)10-13-11-20-15(17-13)14-3-1-2-6-16-14/h1-3,6,11-12,19H,4-5,7-10H2
InChIKeyMQQPVEBZGZALSB-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.41
Rot. Bonds5

About 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648086) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648086
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2csc(-c3ccccn3)n2)C1
InChIInChI=1S/C15H19N3OS/c19-8-5-12-4-7-18(9-12)10-13-11-20-15(17-13)14-3-1-2-6-16-14/h1-3,6,11-12,19H,4-5,7-10H2
InChIKeyMQQPVEBZGZALSB-UHFFFAOYSA-N
XLogP2.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
CID 110016984
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122152416
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115648086) is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2csc(-c3ccccn3)n2)C1.
What is the InChIKey of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is MQQPVEBZGZALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-8-5-12-4-7-18(9-12)10-13-11-20-15(17-13)14-3-1-2-6-16-14/h1-3,6,11-12,19H,4-5,7-10H2.
What are the key properties of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 289.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).