5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine

C12H15N3OS — CID 79772599

IUPAC5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N(C)Cc1cnc(N)s1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-7-14-12(13)17-9)10-5-3-4-6-11(10)16-2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyQKGVUWUBTCFTOL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.37
Rot. Bonds4

About 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine

5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 79772599) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID79772599
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N(C)Cc1cnc(N)s1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-7-14-12(13)17-9)10-5-3-4-6-11(10)16-2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyQKGVUWUBTCFTOL-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine (CID 79772599) is 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine is COc1ccccc1N(C)Cc1cnc(N)s1.
What is the InChIKey of 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is QKGVUWUBTCFTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(8-9-7-14-12(13)17-9)10-5-3-4-6-11(10)16-2/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine?
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).