5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide

C14H17N7O2S — CID 154855545

IUPAC5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cn[nH]c1C(=O)N1CC2CCC(C1)N2c1nnc(C(N)=O)s1
InChIInChI=1S/C14H17N7O2S/c1-7-4-16-17-10(7)13(23)20-5-8-2-3-9(6-20)21(8)14-19-18-12(24-14)11(15)22/h4,8-9H,2-3,5-6H2,1H3,(H2,15,22)(H,16,17)
InChIKeyGEQVDTNUOSRXOQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.16
Rot. Bonds3

About 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide

5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 154855545) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID154855545
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cn[nH]c1C(=O)N1CC2CCC(C1)N2c1nnc(C(N)=O)s1
InChIInChI=1S/C14H17N7O2S/c1-7-4-16-17-10(7)13(23)20-5-8-2-3-9(6-20)21(8)14-19-18-12(24-14)11(15)22/h4,8-9H,2-3,5-6H2,1H3,(H2,15,22)(H,16,17)
InChIKeyGEQVDTNUOSRXOQ-UHFFFAOYSA-N
XLogP0.16
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide (CID 154855545) is 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide is Cc1cn[nH]c1C(=O)N1CC2CCC(C1)N2c1nnc(C(N)=O)s1.
What is the InChIKey of 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GEQVDTNUOSRXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c1-7-4-16-17-10(7)13(23)20-5-8-2-3-9(6-20)21(8)14-19-18-12(24-14)11(15)22/h4,8-9H,2-3,5-6H2,1H3,(H2,15,22)(H,16,17).
What are the key properties of 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide?
5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-1H-pyrazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 154855545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).