5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C15H12ClN3O2S2 — CID 43973938

IUPAC5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCSc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H12ClN3O2S2/c1-22-10-4-2-9(3-5-10)8-13-18-19-15(21-13)17-14(20)11-6-7-12(16)23-11/h2-7H,8H2,1H3,(H,17,19,20)
InChIKeyVMNNCVBZUWBCPC-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.35
Rot. Bonds5

About 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 43973938) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID43973938
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCSc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H12ClN3O2S2/c1-22-10-4-2-9(3-5-10)8-13-18-19-15(21-13)17-14(20)11-6-7-12(16)23-11/h2-7H,8H2,1H3,(H,17,19,20)
InChIKeyVMNNCVBZUWBCPC-UHFFFAOYSA-N
XLogP4.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974057
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43974112
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
CID 43974021
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150
5-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43974173
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919
5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 16917522
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43973948
3-(4-chlorophenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974095
3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43974075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 43973938) is 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is CSc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)s3)o2)cc1.
What is the InChIKey of 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is VMNNCVBZUWBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-22-10-4-2-9(3-5-10)8-13-18-19-15(21-13)17-14(20)11-6-7-12(16)23-11/h2-7H,8H2,1H3,(H,17,19,20).
What are the key properties of 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43973938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).