N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C18H17N3OS — CID 9191701

IUPACN-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1C
InChIInChI=1S/C18H17N3OS/c1-12-5-6-15(8-13(12)2)20-17(22)9-16-11-23-18(21-16)14-4-3-7-19-10-14/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyLJTXAZABXJBJQP-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.00
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 9191701) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID9191701
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1C
InChIInChI=1S/C18H17N3OS/c1-12-5-6-15(8-13(12)2)20-17(22)9-16-11-23-18(21-16)14-4-3-7-19-10-14/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyLJTXAZABXJBJQP-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-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134019864
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 9191701) is N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LJTXAZABXJBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-5-6-15(8-13(12)2)20-17(22)9-16-11-23-18(21-16)14-4-3-7-19-10-14/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-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-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9191701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).