2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide

C14H17N3O2S — CID 82547973

IUPAC2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-9(18)7-16-13(19)6-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19)
InChIKeyBBKJIMREWAORSD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.43
Rot. Bonds5

About 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide (PubChem CID 82547973) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
PubChem CID82547973
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-9(18)7-16-13(19)6-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19)
InChIKeyBBKJIMREWAORSD-UHFFFAOYSA-N
XLogP1.43
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119996957
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
CID 82548064
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 110907848
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide (CID 82547973) is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cc1csc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
The InChIKey is BBKJIMREWAORSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(18)7-16-13(19)6-12-8-20-14(17-12)10-2-4-11(15)5-3-10/h2-5,8-9,18H,6-7,15H2,1H3,(H,16,19).
What are the key properties of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide?
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 82547973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).