N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C24H26B3ClF2N6O5S2 — CID 159400416

IUPACN-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESCB1OB(C)OB(C)O1.CC(=O)Nc1csc(-c2cnc(C)c(F)c2)n1.CC(=O)Nc1csc(-c2cnc(Cl)c(F)c2)n1
InChIInChI=1S/C11H10FN3OS.C10H7ClFN3OS.C3H9B3O3/c1-6-9(12)3-8(4-13-6)11-15-10(5-17-11)14-7(2)16;1-5(16)14-8-4-17-10(15-8)6-2-7(12)9(11)13-3-6;1-4-7-5(2)9-6(3)8-4/h3-5H,1-2H3,(H,14,16);2-4H,1H3,(H,14,16);1-3H3
InChIKeyLNGOTPXMXGDJIT-UHFFFAOYSA-N
MW648.53 g/mol
LogP5.97
Rot. Bonds4

About N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 159400416) has the molecular formula C24H26B3ClF2N6O5S2 and a molecular weight of 648.53 g/mol. Its IUPAC name is N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound NameN-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
PubChem CID159400416
Molecular FormulaC24H26B3ClF2N6O5S2
Molecular Weight648.53 g/mol
Exact Mass648.13
IUPAC NameN-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESCB1OB(C)OB(C)O1.CC(=O)Nc1csc(-c2cnc(C)c(F)c2)n1.CC(=O)Nc1csc(-c2cnc(Cl)c(F)c2)n1
InChIInChI=1S/C11H10FN3OS.C10H7ClFN3OS.C3H9B3O3/c1-6-9(12)3-8(4-13-6)11-15-10(5-17-11)14-7(2)16;1-5(16)14-8-4-17-10(15-8)6-2-7(12)9(11)13-3-6;1-4-7-5(2)9-6(3)8-4/h3-5H,1-2H3,(H,14,16);2-4H,1H3,(H,14,16);1-3H3
InChIKeyLNGOTPXMXGDJIT-UHFFFAOYSA-N
XLogP5.97
TPSA137.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.53
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane with MolForge

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Related Compounds

(2S)-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-4,5-dihydropurin-7-yl]propanamide
CID 139269383
(2S)-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide
CID 118961089
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 177178454
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
2-(3-methyl-2,6-dioxopurin-7-yl)-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide
CID 118961036
N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78824310
methyl 4-[5-(5,6-dichloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoate
CID 86645653
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium
CID 174347209
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 159400416) is N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is CB1OB(C)OB(C)O1.CC(=O)Nc1csc(-c2cnc(C)c(F)c2)n1.CC(=O)Nc1csc(-c2cnc(Cl)c(F)c2)n1.
What is the InChIKey of N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is LNGOTPXMXGDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS.C10H7ClFN3OS.C3H9B3O3/c1-6-9(12)3-8(4-13-6)11-15-10(5-17-11)14-7(2)16;1-5(16)14-8-4-17-10(15-8)6-2-7(12)9(11)13-3-6;1-4-7-5(2)9-6(3)8-4/h3-5H,1-2H3,(H,14,16);2-4H,1H3,(H,14,16);1-3H3.
What are the key properties of N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 648.53 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]acetamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 159400416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).