N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

C18H14N4O3S — CID 16917858

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C18H14N4O3S/c1-24-12-8-6-11(7-9-12)10-15-21-22-18(25-15)20-16(23)17-19-13-4-2-3-5-14(13)26-17/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyBLMDTRNYNVCNSY-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.53
Rot. Bonds5

About N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 16917858) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID16917858
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C18H14N4O3S/c1-24-12-8-6-11(7-9-12)10-15-21-22-18(25-15)20-16(23)17-19-13-4-2-3-5-14(13)26-17/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyBLMDTRNYNVCNSY-UHFFFAOYSA-N
XLogP3.53
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 52904179
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 44921587
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 16917902
3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43973259
2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917872
3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43974075
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16917888
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973309
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16854327

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 16917858) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is COc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is BLMDTRNYNVCNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-24-12-8-6-11(7-9-12)10-15-21-22-18(25-15)20-16(23)17-19-13-4-2-3-5-14(13)26-17/h2-9H,10H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 16917858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).