4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide

C19H20FN5OS — CID 45486778

IUPAC4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)N(C)c1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C19H20FN5OS/c1-12(2)24(3)17-9-15(21-11-22-17)16-10-27-19(23-16)25(4)18(26)13-5-7-14(20)8-6-13/h5-12H,1-4H3
InChIKeyQUUDJJDYMOHMGD-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.86
Rot. Bonds5

About 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 45486778) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID45486778
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)N(C)c1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C19H20FN5OS/c1-12(2)24(3)17-9-15(21-11-22-17)16-10-27-19(23-16)25(4)18(26)13-5-7-14(20)8-6-13/h5-12H,1-4H3
InChIKeyQUUDJJDYMOHMGD-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide (CID 45486778) is 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide is CC(C)N(C)c1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QUUDJJDYMOHMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-12(2)24(3)17-9-15(21-11-22-17)16-10-27-19(23-16)25(4)18(26)13-5-7-14(20)8-6-13/h5-12H,1-4H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 45486778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).