2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide

C20H21N3OS — CID 3801274

IUPAC2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2csc(C(N)Cc3ccccc3)n2)c1
InChIInChI=1S/C20H21N3OS/c1-2-14-9-6-10-16(11-14)22-19(24)18-13-25-20(23-18)17(21)12-15-7-4-3-5-8-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24)
InChIKeyVFMLDCCJUBUFNI-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.20
Rot. Bonds6

About 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide

2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3801274) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3801274
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2csc(C(N)Cc3ccccc3)n2)c1
InChIInChI=1S/C20H21N3OS/c1-2-14-9-6-10-16(11-14)22-19(24)18-13-25-20(23-18)17(21)12-15-7-4-3-5-8-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24)
InChIKeyVFMLDCCJUBUFNI-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
N-(3-amino-3-oxopropyl)-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3826839
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119438459
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3352343
N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 71728802
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
6-(ethylamino)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 62239785
[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3813109
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 3801274) is 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1cccc(NC(=O)c2csc(C(N)Cc3ccccc3)n2)c1.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VFMLDCCJUBUFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-14-9-6-10-16(11-14)22-19(24)18-13-25-20(23-18)17(21)12-15-7-4-3-5-8-15/h3-11,13,17H,2,12,21H2,1H3,(H,22,24).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3801274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).