1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

C9H17N3O2S — CID 106251038

IUPAC1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncc(N)s1
InChIInChI=1S/C9H17N3O2S/c1-9(13,3-4-14-2)6-12-8-11-5-7(10)15-8/h5,13H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyOBILKTUGNHTIHD-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.92
Rot. Bonds6

About 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106251038) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106251038
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncc(N)s1
InChIInChI=1S/C9H17N3O2S/c1-9(13,3-4-14-2)6-12-8-11-5-7(10)15-8/h5,13H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyOBILKTUGNHTIHD-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-Amino-1,3-thiazol-2-yl)amino]propane-1,2-diol
CID 87787746
4-[(1,3-Thiazol-2-ylamino)methyl]oxan-4-ol
CID 78929378
2-[(5-Amino-1,3-thiazol-2-yl)amino]butan-1-ol
CID 102767599
2-[(5-Amino-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol
CID 102767601
1-[(5-Amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-[(5-Amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
2-[(5-Amino-1,3-thiazol-2-yl)amino]-4-methylpentan-1-ol
CID 102767789
2-[(5-Amino-1,3-thiazol-2-yl)-butylamino]ethanol
CID 102767863
2-N-(4-methoxybutyl)-1,3-thiazole-2,5-diamine
CID 102768130
2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine
CID 102768178
2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine
CID 102768179
2-N-(3-methoxy-2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 102768192

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106251038) is 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ncc(N)s1.
What is the InChIKey of 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is OBILKTUGNHTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(13,3-4-14-2)6-12-8-11-5-7(10)15-8/h5,13H,3-4,6,10H2,1-2H3,(H,11,12).
What are the key properties of 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 231.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106251038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).