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

C15H13N3O2S2 — CID 921617

IUPACN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)20-9-13-17-18-15(22-13)16-14(19)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyMWMXJAFTIXPBBB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.74
Rot. Bonds5

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

N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 921617) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID921617
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)20-9-13-17-18-15(22-13)16-14(19)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyMWMXJAFTIXPBBB-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.74
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
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809029
3,4-dimethoxy-N-[5-(thien-2-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1272394
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 648470
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 743416
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 921617) is N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is Cc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1.
What is the InChIKey of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MWMXJAFTIXPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)20-9-13-17-18-15(22-13)16-14(19)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 921617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).