4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine

C12H15N3S — CID 82475642

IUPAC4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(NCc2csc(N)n2)c1C
InChIInChI=1S/C12H15N3S/c1-8-4-3-5-11(9(8)2)14-6-10-7-16-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyXYIGSUQXUOGEQE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.95
Rot. Bonds3

About 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine

4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 82475642) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID82475642
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(NCc2csc(N)n2)c1C
InChIInChI=1S/C12H15N3S/c1-8-4-3-5-11(9(8)2)14-6-10-7-16-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyXYIGSUQXUOGEQE-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine (CID 82475642) is 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine is Cc1cccc(NCc2csc(N)n2)c1C.
What is the InChIKey of 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XYIGSUQXUOGEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-3-5-11(9(8)2)14-6-10-7-16-12(13)15-10/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine 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 4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82475642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).