4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

C12H22N4OS — CID 103362242

IUPAC4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyJHJLRZWWZOXTIY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds4

About 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103362242) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103362242
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyJHJLRZWWZOXTIY-UHFFFAOYSA-N
XLogP1.65
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (CID 103362242) is 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)C1CCN(C)CC1.
What is the InChIKey of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is JHJLRZWWZOXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-17-10-11(13)14-18-12(10)16(3)9-5-7-15(2)8-6-9/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).