N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H10FN5O2S2 — CID 78762545

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H10FN5O2S2/c17-10-1-2-11-12(7-10)26-15(19-11)20-13(23)8-25-16-22-21-14(24-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,20,23)
InChIKeyKMJMERVRJOPTTH-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.61
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 78762545) has the molecular formula C16H10FN5O2S2 and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID78762545
Molecular FormulaC16H10FN5O2S2
Molecular Weight387.42 g/mol
Exact Mass387.03
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H10FN5O2S2/c17-10-1-2-11-12(7-10)26-15(19-11)20-13(23)8-25-16-22-21-14(24-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,20,23)
InChIKeyKMJMERVRJOPTTH-UHFFFAOYSA-N
XLogP3.61
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 78762545) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KMJMERVRJOPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2S2/c17-10-1-2-11-12(7-10)26-15(19-11)20-13(23)8-25-16-22-21-14(24-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,20,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78762545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).