5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine

C8H10ClN5S — CID 4765569

IUPAC5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2nn(C)c(C)c2Cl)s1
InChIInChI=1S/C8H10ClN5S/c1-4-5(9)6(13-14(4)3)7-11-12-8(10-2)15-7/h1-3H3,(H,10,12)
InChIKeyGRLNPGOKZPECJE-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.94
Rot. Bonds2

About 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 4765569) has the molecular formula C8H10ClN5S and a molecular weight of 243.72 g/mol. Its IUPAC name is 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID4765569
Molecular FormulaC8H10ClN5S
Molecular Weight243.72 g/mol
Exact Mass243.03
IUPAC Name5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2nn(C)c(C)c2Cl)s1
InChIInChI=1S/C8H10ClN5S/c1-4-5(9)6(13-14(4)3)7-11-12-8(10-2)15-7/h1-3H3,(H,10,12)
InChIKeyGRLNPGOKZPECJE-UHFFFAOYSA-N
XLogP1.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 4765202
N-[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-isobutylamine
CID 756792
5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 842840
N-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 4143234
5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 4184673
5-[[[(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 125446015
5-(4-Chloro-1,5-dimethylpyrazol-3-YL)-N-ethyl-1,3,4-thiadiazol-2-amine; sulfuric acid
CID 45123709
5-[[4-Chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 171315924
5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 3547029
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-N-butyl-1,3,4-thiadiazol-2-amine
CID 4765335
5-(1,5-dimethyl-1H-pyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 4765752
5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine;sulfuric acid
CID 45123707

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 4765569) is 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2nn(C)c(C)c2Cl)s1.
What is the InChIKey of 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GRLNPGOKZPECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5S/c1-4-5(9)6(13-14(4)3)7-11-12-8(10-2)15-7/h1-3H3,(H,10,12).
What are the key properties of 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 243.72 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,5-dimethylpyrazol-3-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4765569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).