N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C14H11F3N4OS — CID 86802486

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2sc(NCc3nnc(C4CC4)o3)nc2c1
InChIInChI=1S/C14H11F3N4OS/c15-14(16,17)8-3-4-10-9(5-8)19-13(23-10)18-6-11-20-21-12(22-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,19)
InChIKeyRSWXTDNGVLYTPP-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.19
Rot. Bonds4

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 86802486) has the molecular formula C14H11F3N4OS and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID86802486
Molecular FormulaC14H11F3N4OS
Molecular Weight340.33 g/mol
Exact Mass340.06
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc2sc(NCc3nnc(C4CC4)o3)nc2c1
InChIInChI=1S/C14H11F3N4OS/c15-14(16,17)8-3-4-10-9(5-8)19-13(23-10)18-6-11-20-21-12(22-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,19)
InChIKeyRSWXTDNGVLYTPP-UHFFFAOYSA-N
XLogP4.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 86802486) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is FC(F)(F)c1ccc2sc(NCc3nnc(C4CC4)o3)nc2c1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is RSWXTDNGVLYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS/c15-14(16,17)8-3-4-10-9(5-8)19-13(23-10)18-6-11-20-21-12(22-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,19).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 340.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 86802486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).