5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

C14H14N4O3S — CID 86790719

IUPAC5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(NCc3cncs3)o2)c1OC
InChIInChI=1S/C14H14N4O3S/c1-19-11-5-3-4-10(12(11)20-2)13-17-18-14(21-13)16-7-9-6-15-8-22-9/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyQUCPLJKAIUUSTE-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.82
Rot. Bonds6

About 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86790719) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID86790719
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(NCc3cncs3)o2)c1OC
InChIInChI=1S/C14H14N4O3S/c1-19-11-5-3-4-10(12(11)20-2)13-17-18-14(21-13)16-7-9-6-15-8-22-9/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyQUCPLJKAIUUSTE-UHFFFAOYSA-N
XLogP2.82
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
2,3-dimethoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7243979
4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 75498214
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 110456182
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
2-(2,3-dimethoxyphenyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 164621273
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 86790719) is 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is COc1cccc(-c2nnc(NCc3cncs3)o2)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QUCPLJKAIUUSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-19-11-5-3-4-10(12(11)20-2)13-17-18-14(21-13)16-7-9-6-15-8-22-9/h3-6,8H,7H2,1-2H3,(H,16,18).
What are the key properties of 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 318.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).