1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol

C12H14N2OS2 — CID 55130969

IUPAC1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C12H14N2OS2/c15-11-1-3-14(6-11)5-10-8-17-12(13-10)9-2-4-16-7-9/h2,4,7-8,11,15H,1,3,5-6H2
InChIKeyAQBVRTAWRYGLAK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 55130969) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID55130969
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C12H14N2OS2/c15-11-1-3-14(6-11)5-10-8-17-12(13-10)9-2-4-16-7-9/h2,4,7-8,11,15H,1,3,5-6H2
InChIKeyAQBVRTAWRYGLAK-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 134055306
1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
CID 110906485
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907
[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393450
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (CID 55130969) is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is AQBVRTAWRYGLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c15-11-1-3-14(6-11)5-10-8-17-12(13-10)9-2-4-16-7-9/h2,4,7-8,11,15H,1,3,5-6H2.
What are the key properties of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 266.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 55130969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).