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

C17H13N5O2S2 — CID 3610175

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2c1
InChIInChI=1S/C17H13N5O2S2/c1-10-2-3-12-13(8-10)26-16(19-12)20-14(23)9-25-17-22-21-15(24-17)11-4-6-18-7-5-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyLCTVANJRPIOVPF-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.78
Rot. Bonds5

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3610175) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3610175
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2c1
InChIInChI=1S/C17H13N5O2S2/c1-10-2-3-12-13(8-10)26-16(19-12)20-14(23)9-25-17-22-21-15(24-17)11-4-6-18-7-5-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyLCTVANJRPIOVPF-UHFFFAOYSA-N
XLogP3.78
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3610175) is N-(6-methyl-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-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LCTVANJRPIOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c1-10-2-3-12-13(8-10)26-16(19-12)20-14(23)9-25-17-22-21-15(24-17)11-4-6-18-7-5-11/h2-8H,9H2,1H3,(H,19,20,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3610175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).