4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine

C16H18N4S — CID 82528526

IUPAC4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(-c3cc(C)ccc3C)c2C)cs1
InChIInChI=1S/C16H18N4S/c1-10-5-6-11(2)15(7-10)20-12(3)13(8-18-20)14-9-21-16(17-4)19-14/h5-9H,1-4H3,(H,17,19)
InChIKeyWWNXFRMODHHTKM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.96
Rot. Bonds3

About 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine

4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82528526) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82528526
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(-c3cc(C)ccc3C)c2C)cs1
InChIInChI=1S/C16H18N4S/c1-10-5-6-11(2)15(7-10)20-12(3)13(8-18-20)14-9-21-16(17-4)19-14/h5-9H,1-4H3,(H,17,19)
InChIKeyWWNXFRMODHHTKM-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-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

Related Compounds

4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750
5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528529
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448433
4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
CID 58910928
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine (CID 82528526) is 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2cnn(-c3cc(C)ccc3C)c2C)cs1.
What is the InChIKey of 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is WWNXFRMODHHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10-5-6-11(2)15(7-10)20-12(3)13(8-18-20)14-9-21-16(17-4)19-14/h5-9H,1-4H3,(H,17,19).
What are the key properties of 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine?
4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82528526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).