5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C21H21N7OS — CID 126842431

IUPAC5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NCCn2cc(NC(=O)c3ncsc3-c3cccc(C)c3)cn2)nc1
InChIInChI=1S/C21H21N7OS/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24)
InChIKeyZDEBMTZGRGXJOL-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.78
Rot. Bonds7

About 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 126842431) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID126842431
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NCCn2cc(NC(=O)c3ncsc3-c3cccc(C)c3)cn2)nc1
InChIInChI=1S/C21H21N7OS/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24)
InChIKeyZDEBMTZGRGXJOL-UHFFFAOYSA-N
XLogP3.78
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide 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-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 126842431) is 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1cnc(NCCn2cc(NC(=O)c3ncsc3-c3cccc(C)c3)cn2)nc1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZDEBMTZGRGXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24).
What are the key properties of 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126842431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).