N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

C14H17N3OS — CID 61284009

IUPACN-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1cccc(NC(=O)CNCc2csc(C)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)17-14(18)8-15-7-13-9-19-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyGCPHZPVEUXGBQE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds5

About N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 61284009) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID61284009
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1cccc(NC(=O)CNCc2csc(C)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)17-14(18)8-15-7-13-9-19-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyGCPHZPVEUXGBQE-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283814
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
CID 75134438
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-(3-acetamidophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909116

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (CID 61284009) is N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is Cc1cccc(NC(=O)CNCc2csc(C)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is GCPHZPVEUXGBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)17-14(18)8-15-7-13-9-19-11(2)16-13/h3-6,9,15H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 61284009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).