3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide

C15H9ClF2N4O2S — CID 130301521

IUPAC3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc(-c3cnc(Cl)nc3)cs2)c1F
InChIInChI=1S/C15H9ClF2N4O2S/c16-15-20-3-7(4-21-15)9-6-25-11(22-9)5-24-10-2-1-8(17)12(13(10)18)14(19)23/h1-4,6H,5H2,(H2,19,23)
InChIKeyMTMRIJUSWNJQQS-UHFFFAOYSA-N
MW382.78 g/mol
LogP3.21
Rot. Bonds5

About 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide

3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 130301521) has the molecular formula C15H9ClF2N4O2S and a molecular weight of 382.78 g/mol. Its IUPAC name is 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
PubChem CID130301521
Molecular FormulaC15H9ClF2N4O2S
Molecular Weight382.78 g/mol
Exact Mass382.01
IUPAC Name3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc(-c3cnc(Cl)nc3)cs2)c1F
InChIInChI=1S/C15H9ClF2N4O2S/c16-15-20-3-7(4-21-15)9-6-25-11(22-9)5-24-10-2-1-8(17)12(13(10)18)14(19)23/h1-4,6H,5H2,(H2,19,23)
InChIKeyMTMRIJUSWNJQQS-UHFFFAOYSA-N
XLogP3.21
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide (CID 130301521) is 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2nc(-c3cnc(Cl)nc3)cs2)c1F.
What is the InChIKey of 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is MTMRIJUSWNJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N4O2S/c16-15-20-3-7(4-21-15)9-6-25-11(22-9)5-24-10-2-1-8(17)12(13(10)18)14(19)23/h1-4,6H,5H2,(H2,19,23).
What are the key properties of 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 382.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 130301521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).