5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

C12H12N4OS2 — CID 107642867

IUPAC5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)c2csc(C#CCN)c2)s1
InChIInChI=1S/C12H12N4OS2/c1-2-10-15-16-12(19-10)14-11(17)8-6-9(18-7-8)4-3-5-13/h6-7H,2,5,13H2,1H3,(H,14,16,17)
InChIKeyBFTDZKFTQWPCOH-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.72
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 107642867) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
PubChem CID107642867
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)c2csc(C#CCN)c2)s1
InChIInChI=1S/C12H12N4OS2/c1-2-10-15-16-12(19-10)14-11(17)8-6-9(18-7-8)4-3-5-13/h6-7H,2,5,13H2,1H3,(H,14,16,17)
InChIKeyBFTDZKFTQWPCOH-UHFFFAOYSA-N
XLogP1.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 107642862
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 107642805
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 79684581
5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 79684370
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]thiophene-3-carboxamide
CID 83115426
5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide
CID 79691342
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(3-amino-3-oxopropyl)-5-(3-aminoprop-1-ynyl)thiophene-3-carboxamide
CID 79683930
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-3-carboxamide
CID 79696317
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 79696660

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (CID 107642867) is 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is CCc1nnc(NC(=O)c2csc(C#CCN)c2)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is BFTDZKFTQWPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-2-10-15-16-12(19-10)14-11(17)8-6-9(18-7-8)4-3-5-13/h6-7H,2,5,13H2,1H3,(H,14,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107642867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).