N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine

C7H9N5S — CID 102806106

IUPACN-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1Nc1nncs1
InChIInChI=1S/C7H9N5S/c1-5-6(3-12(2)11-5)9-7-10-8-4-13-7/h3-4H,1-2H3,(H,9,10)
InChIKeyKKOQNGXNGPLVCU-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.32
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine

N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 102806106) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID102806106
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1Nc1nncs1
InChIInChI=1S/C7H9N5S/c1-5-6(3-12(2)11-5)9-7-10-8-4-13-7/h3-4H,1-2H3,(H,9,10)
InChIKeyKKOQNGXNGPLVCU-UHFFFAOYSA-N
XLogP1.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
CID 102806061
2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437400
6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
CID 102806146
N-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-amine
CID 102806091
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102806357
N-(1,3-dimethylpyrazol-4-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102806371
N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
CID 102806058
4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
N-(1,3-dimethylpyrazol-4-yl)-5-methoxypyrimidin-2-amine
CID 102806174
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
2-chloro-4-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzene-1,4-diamine
CID 102803593

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine (CID 102806106) is N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine is Cc1nn(C)cc1Nc1nncs1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KKOQNGXNGPLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5-6(3-12(2)11-5)9-7-10-8-4-13-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine?
N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102806106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).