5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C15H22N4OS — CID 103360759

IUPAC5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CC(C)C)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C15H22N4OS/c1-11(2)10-19(7-8-20-3)15-13(14(16)18-21-15)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H2,16,18)
InChIKeyROKOJNPZRKUGHX-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.90
Rot. Bonds7

About 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360759) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103360759
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CC(C)C)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C15H22N4OS/c1-11(2)10-19(7-8-20-3)15-13(14(16)18-21-15)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H2,16,18)
InChIKeyROKOJNPZRKUGHX-UHFFFAOYSA-N
XLogP2.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103360759) is 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is COCCN(CC(C)C)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is ROKOJNPZRKUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11(2)10-19(7-8-20-3)15-13(14(16)18-21-15)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H2,16,18).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 306.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).