2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

C17H23N3OS — CID 110451544

IUPAC2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)C(C)(C)c2ccc(N)cc2)n1
InChIInChI=1S/C17H23N3OS/c1-12-11-22-15(20-12)5-4-10-19-16(21)17(2,3)13-6-8-14(18)9-7-13/h6-9,11H,4-5,10,18H2,1-3H3,(H,19,21)
InChIKeyUXYIZMMZTAGHKZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 110451544) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID110451544
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCc1csc(CCCNC(=O)C(C)(C)c2ccc(N)cc2)n1
InChIInChI=1S/C17H23N3OS/c1-12-11-22-15(20-12)5-4-10-19-16(21)17(2,3)13-6-8-14(18)9-7-13/h6-9,11H,4-5,10,18H2,1-3H3,(H,19,21)
InChIKeyUXYIZMMZTAGHKZ-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110446423
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 110451544) is 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is Cc1csc(CCCNC(=O)C(C)(C)c2ccc(N)cc2)n1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is UXYIZMMZTAGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-11-22-15(20-12)5-4-10-19-16(21)17(2,3)13-6-8-14(18)9-7-13/h6-9,11H,4-5,10,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 317.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 110451544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).