2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C20H21F2N5O3S — CID 122605355

IUPAC2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3nc(C)c(C(=O)N(C)C)s3)nc2)c1F
InChIInChI=1S/C20H21F2N5O3S/c1-10-6-14(29-5)16(22)13(15(10)21)9-30-12-7-23-19(24-8-12)26-20-25-11(2)17(31-20)18(28)27(3)4/h6-8H,9H2,1-5H3,(H,23,24,25,26)
InChIKeyOXCAGORKABWQIC-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.86
Rot. Bonds7

About 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 122605355) has the molecular formula C20H21F2N5O3S and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID122605355
Molecular FormulaC20H21F2N5O3S
Molecular Weight449.48 g/mol
Exact Mass449.13
IUPAC Name2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3nc(C)c(C(=O)N(C)C)s3)nc2)c1F
InChIInChI=1S/C20H21F2N5O3S/c1-10-6-14(29-5)16(22)13(15(10)21)9-30-12-7-23-19(24-8-12)26-20-25-11(2)17(31-20)18(28)27(3)4/h6-8H,9H2,1-5H3,(H,23,24,25,26)
InChIKeyOXCAGORKABWQIC-UHFFFAOYSA-N
XLogP3.86
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-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 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 122605355) is 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is COc1cc(C)c(F)c(COc2cnc(Nc3nc(C)c(C(=O)N(C)C)s3)nc2)c1F.
What is the InChIKey of 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OXCAGORKABWQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S/c1-10-6-14(29-5)16(22)13(15(10)21)9-30-12-7-23-19(24-8-12)26-20-25-11(2)17(31-20)18(28)27(3)4/h6-8H,9H2,1-5H3,(H,23,24,25,26).
What are the key properties of 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122605355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).