N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C14H10N4O2S2 — CID 3237799

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12
InChIInChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)
InChIKeyXHTBEVQYIUETPR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.16
Rot. Bonds4

About N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 3237799) has the molecular formula C14H10N4O2S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID3237799
Molecular FormulaC14H10N4O2S2
Molecular Weight330.39 g/mol
Exact Mass330.02
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12
InChIInChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)
InChIKeyXHTBEVQYIUETPR-UHFFFAOYSA-N
XLogP4.16
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 3237799) is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is COc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XHTBEVQYIUETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3237799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).