N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide

C20H18FN7OS — CID 159424369

IUPACN-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2nc(Nc3cnn(C)c3)ncc2F)ccc1CNC(=O)c1cncs1
InChIInChI=1S/C20H18FN7OS/c1-12-5-13(3-4-14(12)6-23-19(29)17-9-22-11-30-17)18-16(21)8-24-20(27-18)26-15-7-25-28(2)10-15/h3-5,7-11H,6H2,1-2H3,(H,23,29)(H,24,26,27)
InChIKeyLQDXVOGBQRDNMW-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.45
Rot. Bonds6

About N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide

N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 159424369) has the molecular formula C20H18FN7OS and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID159424369
Molecular FormulaC20H18FN7OS
Molecular Weight423.48 g/mol
Exact Mass423.13
IUPAC NameN-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2nc(Nc3cnn(C)c3)ncc2F)ccc1CNC(=O)c1cncs1
InChIInChI=1S/C20H18FN7OS/c1-12-5-13(3-4-14(12)6-23-19(29)17-9-22-11-30-17)18-16(21)8-24-20(27-18)26-15-7-25-28(2)10-15/h3-5,7-11H,6H2,1-2H3,(H,23,29)(H,24,26,27)
InChIKeyLQDXVOGBQRDNMW-UHFFFAOYSA-N
XLogP3.45
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide (CID 159424369) is N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1cc(-c2nc(Nc3cnn(C)c3)ncc2F)ccc1CNC(=O)c1cncs1.
What is the InChIKey of N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LQDXVOGBQRDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7OS/c1-12-5-13(3-4-14(12)6-23-19(29)17-9-22-11-30-17)18-16(21)8-24-20(27-18)26-15-7-25-28(2)10-15/h3-5,7-11H,6H2,1-2H3,(H,23,29)(H,24,26,27).
What are the key properties of N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide?
N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159424369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).