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

C14H17N3O2S — CID 82547964

IUPAC2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
SMILESNc1ccc(-c2nc(CC(=O)NCCCO)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c15-11-4-2-10(3-5-11)14-17-12(9-20-14)8-13(19)16-6-1-7-18/h2-5,9,18H,1,6-8,15H2,(H,16,19)
InChIKeyZNUNXIOCBHXQFE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.43
Rot. Bonds6

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

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide (PubChem CID 82547964) 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-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
PubChem CID82547964
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
SMILESNc1ccc(-c2nc(CC(=O)NCCCO)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c15-11-4-2-10(3-5-11)14-17-12(9-20-14)8-13(19)16-6-1-7-18/h2-5,9,18H,1,6-8,15H2,(H,16,19)
InChIKeyZNUNXIOCBHXQFE-UHFFFAOYSA-N
XLogP1.43
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
CID 82548064
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide (CID 82547964) is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide is Nc1ccc(-c2nc(CC(=O)NCCCO)cs2)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide?
The InChIKey is ZNUNXIOCBHXQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-11-4-2-10(3-5-11)14-17-12(9-20-14)8-13(19)16-6-1-7-18/h2-5,9,18H,1,6-8,15H2,(H,16,19).
What are the key properties of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide?
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.43, 6 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 82547964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).