1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one

C12H12N2O3S — CID 168664210

IUPAC1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nc(-c2ccco2)cs1
InChIInChI=1S/C12H12N2O3S/c15-6-8-4-11(16)14(5-8)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,15H,4-6H2
InChIKeyUXCCBDSMMAXBTI-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.75
Rot. Bonds3

About 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664210) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664210
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nc(-c2ccco2)cs1
InChIInChI=1S/C12H12N2O3S/c15-6-8-4-11(16)14(5-8)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,15H,4-6H2
InChIKeyUXCCBDSMMAXBTI-UHFFFAOYSA-N
XLogP1.75
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677780
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168664222
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672258
S-[[5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668940
ethyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 168662155
4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168672273
4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168509594
4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168661436
methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664210) is 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1nc(-c2ccco2)cs1.
What is the InChIKey of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is UXCCBDSMMAXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-6-8-4-11(16)14(5-8)12-13-9(7-18-12)10-2-1-3-17-10/h1-3,7-8,15H,4-6H2.
What are the key properties of 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 264.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).