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

C11H16ClN5S — CID 756792

IUPAC5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(-c2nnc(NCC(C)C)s2)c1Cl
InChIInChI=1S/C11H16ClN5S/c1-6(2)5-13-11-15-14-10(18-11)9-8(12)7(3)16-17(9)4/h6H,5H2,1-4H3,(H,13,15)
InChIKeyZKNLKWHDCPYZJF-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.97
Rot. Bonds4

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

5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 756792) has the molecular formula C11H16ClN5S and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID756792
Molecular FormulaC11H16ClN5S
Molecular Weight285.80 g/mol
Exact Mass285.08
IUPAC Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(-c2nnc(NCC(C)C)s2)c1Cl
InChIInChI=1S/C11H16ClN5S/c1-6(2)5-13-11-15-14-10(18-11)9-8(12)7(3)16-17(9)4/h6H,5H2,1-4H3,(H,13,15)
InChIKeyZKNLKWHDCPYZJF-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 756792) is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1nn(C)c(-c2nnc(NCC(C)C)s2)c1Cl.
What is the InChIKey of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZKNLKWHDCPYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5S/c1-6(2)5-13-11-15-14-10(18-11)9-8(12)7(3)16-17(9)4/h6H,5H2,1-4H3,(H,13,15).
What are the key properties of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 285.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 756792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).