5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C13H25N3O2S — CID 103361569

IUPAC5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCC(C)N(CCOC)c1snc(N)c1OC(C)C
InChIInChI=1S/C13H25N3O2S/c1-6-10(4)16(7-8-17-5)13-11(18-9(2)3)12(14)15-19-13/h9-10H,6-8H2,1-5H3,(H2,14,15)
InChIKeyVCUAFMHZYFGMAI-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.76
Rot. Bonds8

About 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103361569) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103361569
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCC(C)N(CCOC)c1snc(N)c1OC(C)C
InChIInChI=1S/C13H25N3O2S/c1-6-10(4)16(7-8-17-5)13-11(18-9(2)3)12(14)15-19-13/h9-10H,6-8H2,1-5H3,(H2,14,15)
InChIKeyVCUAFMHZYFGMAI-UHFFFAOYSA-N
XLogP2.76
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-(2-methoxyethyl)-5-N-propan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364962
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103380560
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561
5-N,5-N-bis(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360688
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103362501
5-N-(2-methoxyethyl)-4-methylsulfanyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103364955
ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380533
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
CID 103361441
5-N-(2-methoxyethyl)-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360763
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103361569) is 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCC(C)N(CCOC)c1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is VCUAFMHZYFGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-6-10(4)16(7-8-17-5)13-11(18-9(2)3)12(14)15-19-13/h9-10H,6-8H2,1-5H3,(H2,14,15).
What are the key properties of 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 287.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).