1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol

C9H16N2OS — CID 61044334

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1nc(C)cs1
InChIInChI=1S/C9H16N2OS/c1-3-8(12)4-10-5-9-11-7(2)6-13-9/h6,8,10,12H,3-5H2,1-2H3
InChIKeyGNSVENCOMSZCSF-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.31
Rot. Bonds5

About 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol (PubChem CID 61044334) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
PubChem CID61044334
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1nc(C)cs1
InChIInChI=1S/C9H16N2OS/c1-3-8(12)4-10-5-9-11-7(2)6-13-9/h6,8,10,12H,3-5H2,1-2H3
InChIKeyGNSVENCOMSZCSF-UHFFFAOYSA-N
XLogP1.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
2-chloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107155892
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol (CID 61044334) is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol is CCC(O)CNCc1nc(C)cs1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The InChIKey is GNSVENCOMSZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-8(12)4-10-5-9-11-7(2)6-13-9/h6,8,10,12H,3-5H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 61044334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).