N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

C21H20ClN3O2S — CID 167544590

IUPACN-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)cn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)18-8-5-14(11-23-18)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyNUNAQTDPJCGTDY-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.97
Rot. Bonds6

About N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167544590) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167544590
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)cn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)18-8-5-14(11-23-18)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyNUNAQTDPJCGTDY-UHFFFAOYSA-N
XLogP4.97
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167654047
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 58318762
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(5-bromo-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 112731549

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (CID 167544590) is N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)cn2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is NUNAQTDPJCGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)18-8-5-14(11-23-18)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 413.93 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167544590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).