1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol

C11H21N3O2S — CID 103365683

IUPAC1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1snc(N)c1OC(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-8(15)5-6-13-11-9(16-7(2)3)10(12)14-17-11/h7-8,13,15H,4-6H2,1-3H3,(H2,12,14)
InChIKeyDGIWTZRULWPIAQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.09
Rot. Bonds7

About 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol

1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol (PubChem CID 103365683) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
PubChem CID103365683
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1snc(N)c1OC(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-8(15)5-6-13-11-9(16-7(2)3)10(12)14-17-11/h7-8,13,15H,4-6H2,1-3H3,(H2,12,14)
InChIKeyDGIWTZRULWPIAQ-UHFFFAOYSA-N
XLogP2.09
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol with MolForge

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Related Compounds

5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150463
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361012
4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
CID 103384397
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360985
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol (CID 103365683) is 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol is CCC(O)CCNc1snc(N)c1OC(C)C.
What is the InChIKey of 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol?
The InChIKey is DGIWTZRULWPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-8(15)5-6-13-11-9(16-7(2)3)10(12)14-17-11/h7-8,13,15H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol?
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol has a molecular weight of 259.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol is sourced from PubChem (CID 103365683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).