[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol

C7H12N2OS — CID 2772212

IUPAC[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)Cc1ncc(CO)s1
InChIInChI=1S/C7H12N2OS/c1-9(2)4-7-8-3-6(5-10)11-7/h3,10H,4-5H2,1-2H3
InChIKeyJLIZMAGJQKEVNP-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.70
Rot. Bonds3

About [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol

[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 2772212) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID2772212
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)Cc1ncc(CO)s1
InChIInChI=1S/C7H12N2OS/c1-9(2)4-7-8-3-6(5-10)11-7/h3,10H,4-5H2,1-2H3
InChIKeyJLIZMAGJQKEVNP-UHFFFAOYSA-N
XLogP0.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol (CID 2772212) is [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol is CN(C)Cc1ncc(CO)s1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is JLIZMAGJQKEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-9(2)4-7-8-3-6(5-10)11-7/h3,10H,4-5H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol?
[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 172.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 2772212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).