2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide

C22H23N3O2S — CID 175323598

IUPAC2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide
SMILESCC(C)C(=O)c1cccc(C(=O)NC(C)c2cccc(-c3nccs3)c2)c1N
InChIInChI=1S/C22H23N3O2S/c1-13(2)20(26)17-8-5-9-18(19(17)23)21(27)25-14(3)15-6-4-7-16(12-15)22-24-10-11-28-22/h4-14H,23H2,1-3H3,(H,25,27)
InChIKeyRNBXTFFSEDNELU-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.72
Rot. Bonds6

About 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide

2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide (PubChem CID 175323598) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide
PubChem CID175323598
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide
SMILESCC(C)C(=O)c1cccc(C(=O)NC(C)c2cccc(-c3nccs3)c2)c1N
InChIInChI=1S/C22H23N3O2S/c1-13(2)20(26)17-8-5-9-18(19(17)23)21(27)25-14(3)15-6-4-7-16(12-15)22-24-10-11-28-22/h4-14H,23H2,1-3H3,(H,25,27)
InChIKeyRNBXTFFSEDNELU-UHFFFAOYSA-N
XLogP4.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide (CID 175323598) is 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide is CC(C)C(=O)c1cccc(C(=O)NC(C)c2cccc(-c3nccs3)c2)c1N.
What is the InChIKey of 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide?
The InChIKey is RNBXTFFSEDNELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13(2)20(26)17-8-5-9-18(19(17)23)21(27)25-14(3)15-6-4-7-16(12-15)22-24-10-11-28-22/h4-14H,23H2,1-3H3,(H,25,27).
What are the key properties of 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide?
2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpropanoyl)-N-[1-[3-(1,3-thiazol-2-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 175323598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).