2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline

C15H21N3S — CID 107274588

IUPAC2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline
SMILESCc1cnc(C(C)NCCCc2ccccc2N)s1
InChIInChI=1S/C15H21N3S/c1-11-10-18-15(19-11)12(2)17-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,12,17H,5,7,9,16H2,1-2H3
InChIKeyIVPRRDCGIDYUFH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.32
Rot. Bonds6

About 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline

2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline (PubChem CID 107274588) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline
PubChem CID107274588
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline
SMILESCc1cnc(C(C)NCCCc2ccccc2N)s1
InChIInChI=1S/C15H21N3S/c1-11-10-18-15(19-11)12(2)17-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,12,17H,5,7,9,16H2,1-2H3
InChIKeyIVPRRDCGIDYUFH-UHFFFAOYSA-N
XLogP3.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-methyl-2-[(E)-(1-methylquinolin-4-ylidene)methyl]-1,3-thiazol-3-ium iodide
CID 155514820
(2S)-2-(5-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 168281165
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
2-Amino-1-[(S)-2-(5-ethyl-thiazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359002
3-(1,3-Thiazol-2-yl)aniline
CID 11019390
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480
N-(2-Isopropyl-6-methylphenyl)-2-{methyl[1-(1,3-thiazol-2-YL)ethyl]amino}acetamide
CID 50967597

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline?
The IUPAC name of 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline (CID 107274588) is 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline.
What is the SMILES notation for 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline?
The canonical SMILES for 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline is Cc1cnc(C(C)NCCCc2ccccc2N)s1.
What is the InChIKey of 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline?
The InChIKey is IVPRRDCGIDYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-10-18-15(19-11)12(2)17-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,12,17H,5,7,9,16H2,1-2H3.
What are the key properties of 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline?
2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline is sourced from PubChem (CID 107274588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).