3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C12H20N2OS — CID 63021532

IUPAC3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ncc(CN2CCCC2CCCO)s1
InChIInChI=1S/C12H20N2OS/c1-10-13-8-12(16-10)9-14-6-2-4-11(14)5-3-7-15/h8,11,15H,2-7,9H2,1H3
InChIKeyPYWKIBSICADPAH-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.19
Rot. Bonds5

About 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 63021532) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID63021532
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ncc(CN2CCCC2CCCO)s1
InChIInChI=1S/C12H20N2OS/c1-10-13-8-12(16-10)9-14-6-2-4-11(14)5-3-7-15/h8,11,15H,2-7,9H2,1H3
InChIKeyPYWKIBSICADPAH-UHFFFAOYSA-N
XLogP2.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 80609340
2-methyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291938
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314
3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
CID 45224137
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 63021532) is 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is Cc1ncc(CN2CCCC2CCCO)s1.
What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PYWKIBSICADPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-13-8-12(16-10)9-14-6-2-4-11(14)5-3-7-15/h8,11,15H,2-7,9H2,1H3.
What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 63021532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).