5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid

C9H15N5O4S2 — CID 45123712

IUPAC5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid
SMILESCCNc1nnc(-c2cc(C)n(C)n2)s1.O=S(=O)(O)O
InChIInChI=1S/C9H13N5S.H2O4S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7;1-5(2,3)4/h5H,4H2,1-3H3,(H,10,12);(H2,1,2,3,4)
InChIKeyDKUHWVXVOVPWKG-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.03
Rot. Bonds3

About 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid

5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid (PubChem CID 45123712) has the molecular formula C9H15N5O4S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid
PubChem CID45123712
Molecular FormulaC9H15N5O4S2
Molecular Weight321.38 g/mol
Exact Mass321.06
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid
SMILESCCNc1nnc(-c2cc(C)n(C)n2)s1.O=S(=O)(O)O
InChIInChI=1S/C9H13N5S.H2O4S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7;1-5(2,3)4/h5H,4H2,1-3H3,(H,10,12);(H2,1,2,3,4)
InChIKeyDKUHWVXVOVPWKG-UHFFFAOYSA-N
XLogP1.03
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 5147753
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 566023
5-isopropyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine hydrochloride
CID 70738470
5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 4184673
5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 132969405
5-(4-Chloro-1,5-dimethylpyrazol-3-YL)-N-ethyl-1,3,4-thiadiazol-2-amine; sulfuric acid
CID 45123709
N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 4862590
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448088
5-isopropyl-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine
CID 131951766
5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 146140630
5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 4089127
N-butyl-5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 4246961

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid (CID 45123712) is 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid is CCNc1nnc(-c2cc(C)n(C)n2)s1.O=S(=O)(O)O.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid?
The InChIKey is DKUHWVXVOVPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S.H2O4S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7;1-5(2,3)4/h5H,4H2,1-3H3,(H,10,12);(H2,1,2,3,4).
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid?
5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid has a molecular weight of 321.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine;sulfuric acid is sourced from PubChem (CID 45123712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).