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

C14H10ClN3O2S2 — CID 7295024

IUPAC5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C14H10ClN3O2S2/c1-21-9-4-2-3-8(7-9)13-17-18-14(20-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19)
InChIKeyXNDXSESZNZQOKB-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.43
Rot. Bonds4

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

5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 7295024) has the molecular formula C14H10ClN3O2S2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID7295024
Molecular FormulaC14H10ClN3O2S2
Molecular Weight351.84 g/mol
Exact Mass350.99
IUPAC Name5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C14H10ClN3O2S2/c1-21-9-4-2-3-8(7-9)13-17-18-14(20-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19)
InChIKeyXNDXSESZNZQOKB-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 7295024) is 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is CSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1.
What is the InChIKey of 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is XNDXSESZNZQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S2/c1-21-9-4-2-3-8(7-9)13-17-18-14(20-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19).
What are the key properties of 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7295024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).