1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol

C12H20N2OS — CID 112628398

IUPAC1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCc1ncsc1CCN1CCC(C(C)O)C1
InChIInChI=1S/C12H20N2OS/c1-9-12(16-8-13-9)4-6-14-5-3-11(7-14)10(2)15/h8,10-11,15H,3-7H2,1-2H3
InChIKeyKTZXVQMDCRRQKM-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.70
Rot. Bonds4

About 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 112628398) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID112628398
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCc1ncsc1CCN1CCC(C(C)O)C1
InChIInChI=1S/C12H20N2OS/c1-9-12(16-8-13-9)4-6-14-5-3-11(7-14)10(2)15/h8,10-11,15H,3-7H2,1-2H3
InChIKeyKTZXVQMDCRRQKM-UHFFFAOYSA-N
XLogP1.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
CID 114511001
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79436563
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 97318181
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 79103537
1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280456
[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 103441803
[6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]methanol
CID 102935724
5-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-4-methyl-1,3-thiazole
CID 102682355
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63280699

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol (CID 112628398) is 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol is Cc1ncsc1CCN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is KTZXVQMDCRRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-12(16-8-13-9)4-6-14-5-3-11(7-14)10(2)15/h8,10-11,15H,3-7H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).