[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C12H12N2O3S — CID 36708538

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCOCC1
InChIInChI=1S/C12H12N2O3S/c15-12(14-3-6-16-7-4-14)9-8-18-11(13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2
InChIKeyISBYNIBRHRGKRU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.88
Rot. Bonds2

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 36708538) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID36708538
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCOCC1
InChIInChI=1S/C12H12N2O3S/c15-12(14-3-6-16-7-4-14)9-8-18-11(13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2
InChIKeyISBYNIBRHRGKRU-UHFFFAOYSA-N
XLogP1.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 47024879
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38299335
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 56790806
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 36708538) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is O=C(c1csc(-c2ccco2)n1)N1CCOCC1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ISBYNIBRHRGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-12(14-3-6-16-7-4-14)9-8-18-11(13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 264.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 36708538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).