N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide

C18H25N3OS — CID 91830831

IUPACN-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
SMILESCCc1ccccc1NC(=O)CCN(C)CCc1scnc1C
InChIInChI=1S/C18H25N3OS/c1-4-15-7-5-6-8-16(15)20-18(22)10-12-21(3)11-9-17-14(2)19-13-23-17/h5-8,13H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyVKXHWYROTOPAQW-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.52
Rot. Bonds8

About N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide

N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide (PubChem CID 91830831) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
PubChem CID91830831
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
SMILESCCc1ccccc1NC(=O)CCN(C)CCc1scnc1C
InChIInChI=1S/C18H25N3OS/c1-4-15-7-5-6-8-16(15)20-18(22)10-12-21(3)11-9-17-14(2)19-13-23-17/h5-8,13H,4,9-12H2,1-3H3,(H,20,22)
InChIKeyVKXHWYROTOPAQW-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 63842600
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 131917349
N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 134710256
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110858418
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 91836808
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
methyl 2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetate
CID 115462912
N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide
CID 50983196

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide (CID 91830831) is N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide is CCc1ccccc1NC(=O)CCN(C)CCc1scnc1C.
What is the InChIKey of N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide?
The InChIKey is VKXHWYROTOPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-4-15-7-5-6-8-16(15)20-18(22)10-12-21(3)11-9-17-14(2)19-13-23-17/h5-8,13H,4,9-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide?
N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide has a molecular weight of 331.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide is sourced from PubChem (CID 91830831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).