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

C19H19FN6S — CID 56852270

IUPAC5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2)sc1-c1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6S/c1-13-18(27-19(23-13)21-9-15-10-22-25(2)11-15)17-6-7-26(24-17)12-14-4-3-5-16(20)8-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,23)
InChIKeyMZJYJDFLOCVCAK-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.85
Rot. Bonds6

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

5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 56852270) has the molecular formula C19H19FN6S and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID56852270
Molecular FormulaC19H19FN6S
Molecular Weight382.47 g/mol
Exact Mass382.14
IUPAC Name5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2)sc1-c1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6S/c1-13-18(27-19(23-13)21-9-15-10-22-25(2)11-15)17-6-7-26(24-17)12-14-4-3-5-16(20)8-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,23)
InChIKeyMZJYJDFLOCVCAK-UHFFFAOYSA-N
XLogP3.85
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 56852270) is 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCc2cnn(C)c2)sc1-c1ccn(Cc2cccc(F)c2)n1.
What is the InChIKey of 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MZJYJDFLOCVCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6S/c1-13-18(27-19(23-13)21-9-15-10-22-25(2)11-15)17-6-7-26(24-17)12-14-4-3-5-16(20)8-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,23).
What are the key properties of 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 382.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).