5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol

C14H19N3O2S — CID 107700922

IUPAC5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol
SMILESCOc1nc(N(C)C)sc1CNc1ccc(C)c(O)c1
InChIInChI=1S/C14H19N3O2S/c1-9-5-6-10(7-11(9)18)15-8-12-13(19-4)16-14(20-12)17(2)3/h5-7,15,18H,8H2,1-4H3
InChIKeyDUAVOPXQQBPONY-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.84
Rot. Bonds5

About 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol

5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol (PubChem CID 107700922) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol
PubChem CID107700922
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol
SMILESCOc1nc(N(C)C)sc1CNc1ccc(C)c(O)c1
InChIInChI=1S/C14H19N3O2S/c1-9-5-6-10(7-11(9)18)15-8-12-13(19-4)16-14(20-12)17(2)3/h5-7,15,18H,8H2,1-4H3
InChIKeyDUAVOPXQQBPONY-UHFFFAOYSA-N
XLogP2.84
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol?
The IUPAC name of 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol (CID 107700922) is 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol.
What is the SMILES notation for 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol?
The canonical SMILES for 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol is COc1nc(N(C)C)sc1CNc1ccc(C)c(O)c1.
What is the InChIKey of 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol?
The InChIKey is DUAVOPXQQBPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-5-6-10(7-11(9)18)15-8-12-13(19-4)16-14(20-12)17(2)3/h5-7,15,18H,8H2,1-4H3.
What are the key properties of 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol?
5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol has a molecular weight of 293.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-2-methylphenol is sourced from PubChem (CID 107700922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).