4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide

C8H9N5OS2 — CID 164629821

IUPAC4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](C)c1csnn1
InChIInChI=1S/C8H9N5OS2/c1-4(6-3-15-12-11-6)9-8(14)7-5(2)10-13-16-7/h3-4H,1-2H3,(H,9,14)/t4-/m0/s1
InChIKeyWRRYSRRJFRHZOP-BYPYZUCNSA-N
MW255.33 g/mol
LogP1.19
Rot. Bonds3

About 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 164629821) has the molecular formula C8H9N5OS2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID164629821
Molecular FormulaC8H9N5OS2
Molecular Weight255.33 g/mol
Exact Mass255.02
IUPAC Name4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H](C)c1csnn1
InChIInChI=1S/C8H9N5OS2/c1-4(6-3-15-12-11-6)9-8(14)7-5(2)10-13-16-7/h3-4H,1-2H3,(H,9,14)/t4-/m0/s1
InChIKeyWRRYSRRJFRHZOP-BYPYZUCNSA-N
XLogP1.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide (CID 164629821) is 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H](C)c1csnn1.
What is the InChIKey of 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is WRRYSRRJFRHZOP-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9N5OS2/c1-4(6-3-15-12-11-6)9-8(14)7-5(2)10-13-16-7/h3-4H,1-2H3,(H,9,14)/t4-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 255.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-(thiadiazol-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 164629821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).