N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C14H10ClN3O2S2 — CID 1086855

IUPACN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccs1
InChIInChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyORFONQGKKFOOML-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.08
Rot. Bonds5

About N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1086855) has the molecular formula C14H10ClN3O2S2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID1086855
Molecular FormulaC14H10ClN3O2S2
Molecular Weight351.84 g/mol
Exact Mass350.99
IUPAC NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccs1
InChIInChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyORFONQGKKFOOML-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 1086855) is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccs1.
What is the InChIKey of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is ORFONQGKKFOOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1086855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).