5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine

C12H15N3S — CID 112647291

IUPAC5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCc2cnc(C)s2)c1
InChIInChI=1S/C12H15N3S/c1-8-3-10(13)5-11(4-8)15-7-12-6-14-9(2)16-12/h3-6,15H,7,13H2,1-2H3
InChIKeyFLMGEGFGDXJMOV-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.95
Rot. Bonds3

About 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine

5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine (PubChem CID 112647291) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
PubChem CID112647291
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCc2cnc(C)s2)c1
InChIInChI=1S/C12H15N3S/c1-8-3-10(13)5-11(4-8)15-7-12-6-14-9(2)16-12/h3-6,15H,7,13H2,1-2H3
InChIKeyFLMGEGFGDXJMOV-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699159
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine (CID 112647291) is 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine is Cc1cc(N)cc(NCc2cnc(C)s2)c1.
What is the InChIKey of 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The InChIKey is FLMGEGFGDXJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-3-10(13)5-11(4-8)15-7-12-6-14-9(2)16-12/h3-6,15H,7,13H2,1-2H3.
What are the key properties of 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 112647291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).