N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide

C18H17N3OS — CID 810480

IUPACN-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-5-3-4-6-16(12)20-18-21-17(11-23-18)14-7-9-15(10-8-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyHQPKUYXBMNBYJH-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.82
Rot. Bonds4

About N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 810480) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID810480
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-5-3-4-6-16(12)20-18-21-17(11-23-18)14-7-9-15(10-8-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyHQPKUYXBMNBYJH-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl)amino)phenyl)acetamide
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Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
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N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
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6-(2-Amino-1,3-thiazol-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
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CID 690181
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 810480) is N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is HQPKUYXBMNBYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-5-3-4-6-16(12)20-18-21-17(11-23-18)14-7-9-15(10-8-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 810480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).