5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

C17H14N4O2S2 — CID 8545131

IUPAC5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4ccc(SC)cc4s3)o2)cc1
InChIInChI=1S/C17H14N4O2S2/c1-22-11-5-3-10(4-6-11)15-20-21-16(23-15)19-17-18-13-8-7-12(24-2)9-14(13)25-17/h3-9H,1-2H3,(H,18,19,21)
InChIKeyZJZOOXIPOJLTHL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.82
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 8545131) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID8545131
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4ccc(SC)cc4s3)o2)cc1
InChIInChI=1S/C17H14N4O2S2/c1-22-11-5-3-10(4-6-11)15-20-21-16(23-15)19-17-18-13-8-7-12(24-2)9-14(13)25-17/h3-9H,1-2H3,(H,18,19,21)
InChIKeyZJZOOXIPOJLTHL-UHFFFAOYSA-N
XLogP4.82
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
N-(4-methoxybenzo[d]thiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3236395
5-(2,4-dimethoxyphenyl)-N-(4-methoxybenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 3237187
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109931
N-(1,3-Benzothiazol-2-YL)-4-ethoxybenzamide
CID 673613
N-[1-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 2977544
4-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazol-2-amine
CID 3235799
5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 3240046
N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 5171158

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 8545131) is 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(Nc3nc4ccc(SC)cc4s3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZJZOOXIPOJLTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-22-11-5-3-10(4-6-11)15-20-21-16(23-15)19-17-18-13-8-7-12(24-2)9-14(13)25-17/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 8545131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).