N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H14N4O2S2 — CID 9085549

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2s1
InChIInChI=1S/C17H14N4O2S2/c1-10-18-13-3-2-12(8-14(13)25-10)19-15(22)4-5-16-20-17(21-23-16)11-6-7-24-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,22)
InChIKeySVNQVQBBLJCPPL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.29
Rot. Bonds5

About N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9085549) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9085549
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2s1
InChIInChI=1S/C17H14N4O2S2/c1-10-18-13-3-2-12(8-14(13)25-10)19-15(22)4-5-16-20-17(21-23-16)11-6-7-24-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,22)
InChIKeySVNQVQBBLJCPPL-UHFFFAOYSA-N
XLogP4.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 9085549) is N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1nc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is SVNQVQBBLJCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10-18-13-3-2-12(8-14(13)25-10)19-15(22)4-5-16-20-17(21-23-16)11-6-7-24-9-11/h2-3,6-9H,4-5H2,1H3,(H,19,22).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 370.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9085549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).