N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide

C14H17N3OS — CID 63022155

IUPACN-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1cscn1
InChIInChI=1S/C14H17N3OS/c1-2-6-17(14(18)13-9-19-10-16-13)8-11-4-3-5-12(15)7-11/h3-5,7,9-10H,2,6,8,15H2,1H3
InChIKeyHFJQQDQUWKEDAY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.78
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide

N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 63022155) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID63022155
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1cscn1
InChIInChI=1S/C14H17N3OS/c1-2-6-17(14(18)13-9-19-10-16-13)8-11-4-3-5-12(15)7-11/h3-5,7,9-10H,2,6,8,15H2,1H3
InChIKeyHFJQQDQUWKEDAY-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 138044082
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 63022155) is N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCN(Cc1cccc(N)c1)C(=O)c1cscn1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is HFJQQDQUWKEDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-6-17(14(18)13-9-19-10-16-13)8-11-4-3-5-12(15)7-11/h3-5,7,9-10H,2,6,8,15H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide?
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63022155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).