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

C9H11N5OS2 — CID 4769924

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5OS2/c1-3-16-9-13-12-8(17-9)11-7(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,12,15)
InChIKeyZXUNTPHJVMDOPR-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.64
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 4769924) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID4769924
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5OS2/c1-3-16-9-13-12-8(17-9)11-7(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,12,15)
InChIKeyZXUNTPHJVMDOPR-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.64
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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Related Compounds

1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 4772210
N-{5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl}-1-ethyl-1H-pyrazole-4-carboxamide
CID 132422446
1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 164642137
US12187729, Example 44
CID 146636514
US12187729, Example 43
CID 146636518
US12187729, Example 38
CID 146636527
US12187729, Example 40
CID 146636535
US12187729, Example 41
CID 146636536
US12187729, Example 37
CID 146636582
1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 36472135
3-(4-methylpyrazol-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 87040598
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 42352860

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 4769924) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is CCSc1nnc(NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZXUNTPHJVMDOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-3-16-9-13-12-8(17-9)11-7(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,12,15).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 1.64, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4769924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).