1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine

C9H17N3S — CID 122628208

IUPAC1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc(CN(C)C)n1
InChIInChI=1S/C9H17N3S/c1-11(2)5-8-7-13-9(10-8)6-12(3)4/h7H,5-6H2,1-4H3
InChIKeyHLQIDNVAMYTYHO-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.27
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine

1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 122628208) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
PubChem CID122628208
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc(CN(C)C)n1
InChIInChI=1S/C9H17N3S/c1-11(2)5-8-7-13-9(10-8)6-12(3)4/h7H,5-6H2,1-4H3
InChIKeyHLQIDNVAMYTYHO-UHFFFAOYSA-N
XLogP1.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine (CID 122628208) is 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1csc(CN(C)C)n1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is HLQIDNVAMYTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-11(2)5-8-7-13-9(10-8)6-12(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine?
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 199.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 122628208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).