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

C13H25N3O2S — CID 106150463

IUPAC5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)Oc1c(N)nsc1NCC(C)(C)CCCO
InChIInChI=1S/C13H25N3O2S/c1-9(2)18-10-11(14)16-19-12(10)15-8-13(3,4)6-5-7-17/h9,15,17H,5-8H2,1-4H3,(H2,14,16)
InChIKeyBONDLSUDODZFTG-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.72
Rot. Bonds8

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

5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106150463) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106150463
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)Oc1c(N)nsc1NCC(C)(C)CCCO
InChIInChI=1S/C13H25N3O2S/c1-9(2)18-10-11(14)16-19-12(10)15-8-13(3,4)6-5-7-17/h9,15,17H,5-8H2,1-4H3,(H2,14,16)
InChIKeyBONDLSUDODZFTG-UHFFFAOYSA-N
XLogP2.72
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150457
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299145
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol (CID 106150463) is 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)Oc1c(N)nsc1NCC(C)(C)CCCO.
What is the InChIKey of 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is BONDLSUDODZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-9(2)18-10-11(14)16-19-12(10)15-8-13(3,4)6-5-7-17/h9,15,17H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106150463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).