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

C14H20N4O2S — CID 103361733

IUPAC5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CCOC)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H20N4O2S/c1-19-9-7-18(8-10-20-2)14-12(13(15)17-21-14)11-3-5-16-6-4-11/h3-6H,7-10H2,1-2H3,(H2,15,17)
InChIKeyVSDABHZHIOIJDN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.89
Rot. Bonds8

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

5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361733) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103361733
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CCOC)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H20N4O2S/c1-19-9-7-18(8-10-20-2)14-12(13(15)17-21-14)11-3-5-16-6-4-11/h3-6H,7-10H2,1-2H3,(H2,15,17)
InChIKeyVSDABHZHIOIJDN-UHFFFAOYSA-N
XLogP1.89
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103361733) is 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is COCCN(CCOC)c1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is VSDABHZHIOIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-19-9-7-18(8-10-20-2)14-12(13(15)17-21-14)11-3-5-16-6-4-11/h3-6H,7-10H2,1-2H3,(H2,15,17).
What are the key properties of 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 308.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).