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

C9H16N2OS — CID 61285786

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1csc(C)n1
InChIInChI=1S/C9H16N2OS/c1-3-9(12)5-10-4-8-6-13-7(2)11-8/h6,9-10,12H,3-5H2,1-2H3
InChIKeyIERNOEYVUVCPQT-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.31
Rot. Bonds5

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

1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol (PubChem CID 61285786) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
PubChem CID61285786
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1csc(C)n1
InChIInChI=1S/C9H16N2OS/c1-3-9(12)5-10-4-8-6-13-7(2)11-8/h6,9-10,12H,3-5H2,1-2H3
InChIKeyIERNOEYVUVCPQT-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-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol with MolForge

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
CID 43210216
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61280895
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
CID 107156018
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
CID 115654712
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045106
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol (CID 61285786) is 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol is CCC(O)CNCc1csc(C)n1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The InChIKey is IERNOEYVUVCPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-9(12)5-10-4-8-6-13-7(2)11-8/h6,9-10,12H,3-5H2,1-2H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
1-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 61285786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).