2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol

C10H19N3O2S — CID 103365425

IUPAC2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
SMILESCCOc1c(N)nsc1N(C)C(C)(C)CO
InChIInChI=1S/C10H19N3O2S/c1-5-15-7-8(11)12-16-9(7)13(4)10(2,3)6-14/h14H,5-6H2,1-4H3,(H2,11,12)
InChIKeyOOANJAZRQMNOLU-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.33
Rot. Bonds5

About 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol (PubChem CID 103365425) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
PubChem CID103365425
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
SMILESCCOc1c(N)nsc1N(C)C(C)(C)CO
InChIInChI=1S/C10H19N3O2S/c1-5-15-7-8(11)12-16-9(7)13(4)10(2,3)6-14/h14H,5-6H2,1-4H3,(H2,11,12)
InChIKeyOOANJAZRQMNOLU-UHFFFAOYSA-N
XLogP1.33
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
CID 103349800
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol (CID 103365425) is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol is CCOc1c(N)nsc1N(C)C(C)(C)CO.
What is the InChIKey of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol?
The InChIKey is OOANJAZRQMNOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-15-7-8(11)12-16-9(7)13(4)10(2,3)6-14/h14H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol?
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol has a molecular weight of 245.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 103365425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).