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

C20H14FN5OS — CID 16659976

IUPAC4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(-c3cccnc3)ncn2)cs1
InChIInChI=1S/C20H14FN5OS/c1-26(19(27)13-4-6-15(21)7-5-13)20-25-18(11-28-20)17-9-16(23-12-24-17)14-3-2-8-22-10-14/h2-12H,1H3
InChIKeyDSXQHZYZBUTGNB-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.08
Rot. Bonds4

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

4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16659976) has the molecular formula C20H14FN5OS and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID16659976
Molecular FormulaC20H14FN5OS
Molecular Weight391.43 g/mol
Exact Mass391.09
IUPAC Name4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(-c3cccnc3)ncn2)cs1
InChIInChI=1S/C20H14FN5OS/c1-26(19(27)13-4-6-15(21)7-5-13)20-25-18(11-28-20)17-9-16(23-12-24-17)14-3-2-8-22-10-14/h2-12H,1H3
InChIKeyDSXQHZYZBUTGNB-UHFFFAOYSA-N
XLogP4.08
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Masitinib
CID 10074640
4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
2-(5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 2810507
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
(18F)Fitm
CID 53233900
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
Pyrimidine-4-carboxamide, 37
CID 11404621
(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862157

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide (CID 16659976) is 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(-c3cccnc3)ncn2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DSXQHZYZBUTGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5OS/c1-26(19(27)13-4-6-15(21)7-5-13)20-25-18(11-28-20)17-9-16(23-12-24-17)14-3-2-8-22-10-14/h2-12H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.08, 4 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-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16659976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).