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

C14H17N3OS — CID 115928894

IUPACN-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(C)c1cscn1
InChIInChI=1S/C14H17N3OS/c1-10(13-8-19-9-16-13)17-12-6-4-3-5-11(12)7-14(18)15-2/h3-6,8-10,17H,7H2,1-2H3,(H,15,18)
InChIKeyWCLROFBPKWPLSH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.60
Rot. Bonds5

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

N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide (PubChem CID 115928894) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
PubChem CID115928894
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(C)c1cscn1
InChIInChI=1S/C14H17N3OS/c1-10(13-8-19-9-16-13)17-12-6-4-3-5-11(12)7-14(18)15-2/h3-6,8-10,17H,7H2,1-2H3,(H,15,18)
InChIKeyWCLROFBPKWPLSH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843
2-(diethylaminomethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928997
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43782874
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
CID 55086327
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43692234
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
CID 115928538

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide (CID 115928894) is N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide is CNC(=O)Cc1ccccc1NC(C)c1cscn1.
What is the InChIKey of N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The InChIKey is WCLROFBPKWPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(13-8-19-9-16-13)17-12-6-4-3-5-11(12)7-14(18)15-2/h3-6,8-10,17H,7H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 115928894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).