N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C9H12N6OS — CID 79515699

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C9H12N6OS/c1-4-6(5(2)15(3)14-4)7(16)11-9-13-12-8(10)17-9/h1-3H3,(H2,10,12)(H,11,13,16)
InChIKeyKARVMKMUOSWANZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.72
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 79515699) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID79515699
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1nnc(N)s1
InChIInChI=1S/C9H12N6OS/c1-4-6(5(2)15(3)14-4)7(16)11-9-13-12-8(10)17-9/h1-3H3,(H2,10,12)(H,11,13,16)
InChIKeyKARVMKMUOSWANZ-UHFFFAOYSA-N
XLogP0.72
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
1,3,5-trimethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 32607033
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 51090475

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 79515699) is N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1nnc(N)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is KARVMKMUOSWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-4-6(5(2)15(3)14-4)7(16)11-9-13-12-8(10)17-9/h1-3H3,(H2,10,12)(H,11,13,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 79515699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).