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

C18H17FN6S — CID 42424047

IUPAC5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H17FN6S/c1-12-17(26-18(22-12)20-9-13-10-21-24(2)11-13)16-6-7-25(23-16)15-5-3-4-14(19)8-15/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyJPDMMKVTGPCFFO-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.79
Rot. Bonds5

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

5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 42424047) has the molecular formula C18H17FN6S and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID42424047
Molecular FormulaC18H17FN6S
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC Name5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnn(C)c2)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H17FN6S/c1-12-17(26-18(22-12)20-9-13-10-21-24(2)11-13)16-6-7-25(23-16)15-5-3-4-14(19)8-15/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyJPDMMKVTGPCFFO-UHFFFAOYSA-N
XLogP3.79
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3-fluorophenyl)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)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 42424047) is 5-[1-(3-fluorophenyl)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)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCc2cnn(C)c2)sc1-c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JPDMMKVTGPCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6S/c1-12-17(26-18(22-12)20-9-13-10-21-24(2)11-13)16-6-7-25(23-16)15-5-3-4-14(19)8-15/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 368.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42424047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).