4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline

C15H21N3S — CID 115342144

IUPAC4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
SMILESCc1ncsc1CN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-3-4-13-5-7-14(16)8-6-13/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyGOLQYRDEKKJMAU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.10
Rot. Bonds6

About 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline

4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline (PubChem CID 115342144) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
PubChem CID115342144
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
SMILESCc1ncsc1CN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-3-4-13-5-7-14(16)8-6-13/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyGOLQYRDEKKJMAU-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.10
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

4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 63843470
5-amino-1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]pyridin-2-one
CID 63841607
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163
2-chloro-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63842276
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline?
The IUPAC name of 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline (CID 115342144) is 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline.
What is the SMILES notation for 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline?
The canonical SMILES for 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline is Cc1ncsc1CN(C)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline?
The InChIKey is GOLQYRDEKKJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-15(19-11-17-12)10-18(2)9-3-4-13-5-7-14(16)8-6-13/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline?
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline is sourced from PubChem (CID 115342144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).