[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C12H12N2O2S — CID 84584448

IUPAC[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccoc2)s1)N1CCCC1
InChIInChI=1S/C12H12N2O2S/c15-12(14-4-1-2-5-14)10-7-13-11(17-10)9-3-6-16-8-9/h3,6-8H,1-2,4-5H2
InChIKeyBMSAWXUZALWAOB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.64
Rot. Bonds2

About [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 84584448) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID84584448
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(-c2ccoc2)s1)N1CCCC1
InChIInChI=1S/C12H12N2O2S/c15-12(14-4-1-2-5-14)10-7-13-11(17-10)9-3-6-16-8-9/h3,6-8H,1-2,4-5H2
InChIKeyBMSAWXUZALWAOB-UHFFFAOYSA-N
XLogP2.64
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 86990968
(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121
[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
[2-(4-methylsulfonyl-3-nitrophenyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 70693065
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 95589953
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 71847415
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 86991467
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71878575
[2-[(2-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-[4-[5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]methanone
CID 11683865

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 84584448) is [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(-c2ccoc2)s1)N1CCCC1.
What is the InChIKey of [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BMSAWXUZALWAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(14-4-1-2-5-14)10-7-13-11(17-10)9-3-6-16-8-9/h3,6-8H,1-2,4-5H2.
What are the key properties of [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 248.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 84584448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).