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

C14H17N3OS — CID 82548086

IUPAC2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3OS/c1-2-7-16-13(18)8-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,15H2,1H3,(H,16,18)
InChIKeyYXRDPPINQIGCOE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.46
Rot. Bonds5

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

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 82548086) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID82548086
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3OS/c1-2-7-16-13(18)8-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,15H2,1H3,(H,16,18)
InChIKeyYXRDPPINQIGCOE-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-hydroxypropyl)acetamide
CID 82547964
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
CID 82548064
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
(2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 39965429
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide (CID 82548086) is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is YXRDPPINQIGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-16-13(18)8-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 82548086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).