2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine

C12H15N3S — CID 63280783

IUPAC2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCc1scnc1C
InChIInChI=1S/C12H15N3S/c1-8-5-10(13)3-4-11(8)14-6-12-9(2)15-7-16-12/h3-5,7,14H,6,13H2,1-2H3
InChIKeyIPFCHLLLCOAUBI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine

2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine (PubChem CID 63280783) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
PubChem CID63280783
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCc1scnc1C
InChIInChI=1S/C12H15N3S/c1-8-5-10(13)3-4-11(8)14-6-12-9(2)15-7-16-12/h3-5,7,14H,6,13H2,1-2H3
InChIKeyIPFCHLLLCOAUBI-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

2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
2-methyl-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 64546108
2-amino-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 104716748
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280801
3-bromo-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 82800798
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 113323976
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine (CID 63280783) is 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine is Cc1cc(N)ccc1NCc1scnc1C.
What is the InChIKey of 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The InChIKey is IPFCHLLLCOAUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-5-10(13)3-4-11(8)14-6-12-9(2)15-7-16-12/h3-5,7,14H,6,13H2,1-2H3.
What are the key properties of 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-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 2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63280783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).