4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C23H20N6S2 — CID 126465236

IUPAC4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnc(-c3ccccc3)s2)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C23H20N6S2/c1-16-21(20-9-12-29(28-20)15-17-7-10-24-11-8-17)31-23(27-16)26-14-19-13-25-22(30-19)18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyJBYPAGUJAJBKRA-UHFFFAOYSA-N
MW444.59 g/mol
LogP5.49
Rot. Bonds7

About 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 126465236) has the molecular formula C23H20N6S2 and a molecular weight of 444.59 g/mol. Its IUPAC name is 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID126465236
Molecular FormulaC23H20N6S2
Molecular Weight444.59 g/mol
Exact Mass444.12
IUPAC Name4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cnc(-c3ccccc3)s2)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C23H20N6S2/c1-16-21(20-9-12-29(28-20)15-17-7-10-24-11-8-17)31-23(27-16)26-14-19-13-25-22(30-19)18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,27)
InChIKeyJBYPAGUJAJBKRA-UHFFFAOYSA-N
XLogP5.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-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 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 126465236) is 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2cnc(-c3ccccc3)s2)sc1-c1ccn(Cc2ccncc2)n1.
What is the InChIKey of 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is JBYPAGUJAJBKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6S2/c1-16-21(20-9-12-29(28-20)15-17-7-10-24-11-8-17)31-23(27-16)26-14-19-13-25-22(30-19)18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,27).
What are the key properties of 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 444.59 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126465236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).