N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 43459474

IUPACN-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)c1scnc1C
InChIInChI=1S/C15H19N3OS/c1-3-8-18(9-12-4-6-13(16)7-5-12)15(19)14-11(2)17-10-20-14/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyUXPNHEXTDUJAHS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 43459474) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID43459474
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)c1scnc1C
InChIInChI=1S/C15H19N3OS/c1-3-8-18(9-12-4-6-13(16)7-5-12)15(19)14-11(2)17-10-20-14/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyUXPNHEXTDUJAHS-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 61381686
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
CID 61040072
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 43460178

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 43459474) is N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCN(Cc1ccc(N)cc1)C(=O)c1scnc1C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is UXPNHEXTDUJAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-8-18(9-12-4-6-13(16)7-5-12)15(19)14-11(2)17-10-20-14/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43459474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).