N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide

C10H13N5OS2 — CID 42352860

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cn(C)nc2C)s1
InChIInChI=1S/C10H13N5OS2/c1-4-17-10-13-12-9(18-10)11-8(16)7-5-15(3)14-6(7)2/h5H,4H2,1-3H3,(H,11,12,16)
InChIKeyGOPYYUUSPVIVLV-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.94
Rot. Bonds4

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 42352860) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID42352860
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cn(C)nc2C)s1
InChIInChI=1S/C10H13N5OS2/c1-4-17-10-13-12-9(18-10)11-8(16)7-5-15(3)14-6(7)2/h5H,4H2,1-3H3,(H,11,12,16)
InChIKeyGOPYYUUSPVIVLV-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide (CID 42352860) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide is CCSc1nnc(NC(=O)c2cn(C)nc2C)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is GOPYYUUSPVIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-4-17-10-13-12-9(18-10)11-8(16)7-5-15(3)14-6(7)2/h5H,4H2,1-3H3,(H,11,12,16).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42352860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).