N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine

C12H12F3N7S — CID 4862500

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1Nc1nnc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H12F3N7S/c1-6-7(5-21(2)19-6)16-11-18-17-10(23-11)8-4-9(12(13,14)15)20-22(8)3/h4-5H,1-3H3,(H,16,18)
InChIKeyCQTQTUCXTJZHET-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.74
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine

N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 4862500) has the molecular formula C12H12F3N7S and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID4862500
Molecular FormulaC12H12F3N7S
Molecular Weight343.34 g/mol
Exact Mass343.08
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)cc1Nc1nnc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H12F3N7S/c1-6-7(5-21(2)19-6)16-11-18-17-10(23-11)8-4-9(12(13,14)15)20-22(8)3/h4-5H,1-3H3,(H,16,18)
InChIKeyCQTQTUCXTJZHET-UHFFFAOYSA-N
XLogP2.74
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 4862500) is N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine is Cc1nn(C)cc1Nc1nnc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CQTQTUCXTJZHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N7S/c1-6-7(5-21(2)19-6)16-11-18-17-10(23-11)8-4-9(12(13,14)15)20-22(8)3/h4-5H,1-3H3,(H,16,18).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 343.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4862500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).