[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone

C21H22N2O5S2 — CID 30859847

IUPAC[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2csc(SCc3ccc(C(=O)N4CCOCC4)o3)n2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-25-17-5-3-14(11-19(17)26-2)16-13-30-21(22-16)29-12-15-4-6-18(28-15)20(24)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyDPJWRGREYBVJFU-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.18
Rot. Bonds7

About [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 30859847) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID30859847
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC Name[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2csc(SCc3ccc(C(=O)N4CCOCC4)o3)n2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-25-17-5-3-14(11-19(17)26-2)16-13-30-21(22-16)29-12-15-4-6-18(28-15)20(24)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyDPJWRGREYBVJFU-UHFFFAOYSA-N
XLogP4.18
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
morpholin-4-yl-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]methanone
CID 6402590
[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 6402585
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
[3-(3,4-dimethoxyphenyl)-5-nitro-2-benzothiophen-4-yl]-morpholin-4-ylmethanone
CID 56993676
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 19005849
2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
CID 8891685
1-acetyl-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 108725376
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone (CID 30859847) is [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2csc(SCc3ccc(C(=O)N4CCOCC4)o3)n2)cc1OC.
What is the InChIKey of [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DPJWRGREYBVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-25-17-5-3-14(11-19(17)26-2)16-13-30-21(22-16)29-12-15-4-6-18(28-15)20(24)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 446.55 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 30859847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).