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

C14H11N3O2S2 — CID 809029

IUPACN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)s1)c1cccs1
InChIInChI=1S/C14H11N3O2S2/c18-13(11-7-4-8-20-11)15-14-17-16-12(21-14)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyJEPCZYJXEKZKAI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.43
Rot. Bonds5

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

N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 809029) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID809029
Molecular FormulaC14H11N3O2S2
Molecular Weight317.39 g/mol
Exact Mass317.03
IUPAC NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)s1)c1cccs1
InChIInChI=1S/C14H11N3O2S2/c18-13(11-7-4-8-20-11)15-14-17-16-12(21-14)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyJEPCZYJXEKZKAI-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665376
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide
CID 838732
N-{5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-thiophenecarboxamide
CID 878432
3-ethoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878458
N-[(2Z)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]thiophene-2-carboxamide
CID 921617
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1086855
3-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1451529
N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 665822
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 806181
N-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-thienyl)acetamide
CID 4184856
N-(5-{2-[(4-methoxyphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 4401026

Frequently Asked Questions

What is the IUPAC name of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 809029) is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1.
What is the InChIKey of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is JEPCZYJXEKZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c18-13(11-7-4-8-20-11)15-14-17-16-12(21-14)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18).
What are the key properties of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 809029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).