3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C14H14N4S — CID 54868679

IUPAC3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(-n3ccnc3)c2)s1
InChIInChI=1S/C14H14N4S/c1-11-16-8-14(19-11)9-17-12-3-2-4-13(7-12)18-6-5-15-10-18/h2-8,10,17H,9H2,1H3
InChIKeyRFYQJRLYJCOSCC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.25
Rot. Bonds4

About 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54868679) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54868679
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(-n3ccnc3)c2)s1
InChIInChI=1S/C14H14N4S/c1-11-16-8-14(19-11)9-17-12-3-2-4-13(7-12)18-6-5-15-10-18/h2-8,10,17H,9H2,1H3
InChIKeyRFYQJRLYJCOSCC-UHFFFAOYSA-N
XLogP3.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
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CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 54868679) is 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cccc(-n3ccnc3)c2)s1.
What is the InChIKey of 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is RFYQJRLYJCOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-11-16-8-14(19-11)9-17-12-3-2-4-13(7-12)18-6-5-15-10-18/h2-8,10,17H,9H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 270.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54868679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).