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

C16H15N3OS2 — CID 3228609

IUPACN-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H15N3OS2/c1-3-19(15(20)13-8-5-9-21-13)16-18-17-14(22-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyYVJHJKVPDJENLZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.24
Rot. Bonds4

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

N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3228609) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID3228609
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H15N3OS2/c1-3-19(15(20)13-8-5-9-21-13)16-18-17-14(22-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyYVJHJKVPDJENLZ-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 659514
2-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444802
N-(5-(m-tolyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 4191915
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 665223
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 792651
4-fluoro-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741037
N-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 1444698
2-(4-Methylsulfanylphenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 178300793
2-fluoro-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 743391
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 16583077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 3228609) is N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is CCN(C(=O)c1cccs1)c1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is YVJHJKVPDJENLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-3-19(15(20)13-8-5-9-21-13)16-18-17-14(22-16)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3228609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).