N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

C18H17N3OS — CID 110329096

IUPACN-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2sc(-c3cccnc3)nc2C)cc1
InChIInChI=1S/C18H17N3OS/c1-12-5-7-15(8-6-12)21-17(22)10-16-13(2)20-18(23-16)14-4-3-9-19-11-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyVOFHCPDOQLXXRT-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.00
Rot. Bonds4

About N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 110329096) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
PubChem CID110329096
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2sc(-c3cccnc3)nc2C)cc1
InChIInChI=1S/C18H17N3OS/c1-12-5-7-15(8-6-12)21-17(22)10-16-13(2)20-18(23-16)14-4-3-9-19-11-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyVOFHCPDOQLXXRT-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329127
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
ethyl 2-[[2-[4-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 2420878
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
1-(4-methylphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110395291
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329225
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (CID 110329096) is N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is Cc1ccc(NC(=O)Cc2sc(-c3cccnc3)nc2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is VOFHCPDOQLXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-5-7-15(8-6-12)21-17(22)10-16-13(2)20-18(23-16)14-4-3-9-19-11-14/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110329096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).