4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide

C20H14FN5O2S — CID 16660137

IUPAC4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(Oc3cccnc3)ncn2)cs1
InChIInChI=1S/C20H14FN5O2S/c1-26(19(27)13-4-6-14(21)7-5-13)20-25-17(11-29-20)16-9-18(24-12-23-16)28-15-3-2-8-22-10-15/h2-12H,1H3
InChIKeyUBCUHIIFPWVCPF-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.20
Rot. Bonds5

About 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide

4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16660137) has the molecular formula C20H14FN5O2S and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID16660137
Molecular FormulaC20H14FN5O2S
Molecular Weight407.43 g/mol
Exact Mass407.09
IUPAC Name4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(Oc3cccnc3)ncn2)cs1
InChIInChI=1S/C20H14FN5O2S/c1-26(19(27)13-4-6-14(21)7-5-13)20-25-17(11-29-20)16-9-18(24-12-23-16)28-15-3-2-8-22-10-15/h2-12H,1H3
InChIKeyUBCUHIIFPWVCPF-UHFFFAOYSA-N
XLogP4.20
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
(2E)-2-ethylidenepyrrolidine;4-fluoro-N-methyl-N-[4-(6-oxo-1H-pyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 143430762
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
4-(2-(18F)fluoroethoxy)-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl](18F)benzamide
CID 70686553
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
CID 24803039
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
CID 16659653
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
CID 24805014

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide (CID 16660137) is 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(Oc3cccnc3)ncn2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UBCUHIIFPWVCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2S/c1-26(19(27)13-4-6-14(21)7-5-13)20-25-17(11-29-20)16-9-18(24-12-23-16)28-15-3-2-8-22-10-15/h2-12H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 407.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16660137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).