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

C18H17N3OS — CID 2215375

IUPACN-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12-6-8-15(9-7-12)20-18-21-17(11-23-18)14-4-3-5-16(10-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZQWAONYXKYFWKR-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.82
Rot. Bonds4

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

N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2215375) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2215375
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C18H17N3OS/c1-12-6-8-15(9-7-12)20-18-21-17(11-23-18)14-4-3-5-16(10-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZQWAONYXKYFWKR-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
CID 1508365
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
2-Cinnamamido-4-phenylthiazole
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-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
N1-(4-(3-aminophenyl)thiazol-2-yl)-N8-hydroxyoctanediamide
CID 24178404
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 2215375) is N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Nc3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ZQWAONYXKYFWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-6-8-15(9-7-12)20-18-21-17(11-23-18)14-4-3-5-16(10-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-(4-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-[3-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2215375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).