4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine

C8H10N4OS2 — CID 103380667

IUPAC4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1cscn1
InChIInChI=1S/C8H10N4OS2/c1-13-6-7(9)12-15-8(6)10-2-5-3-14-4-11-5/h3-4,10H,2H2,1H3,(H2,9,12)
InChIKeyJRKQVTUDXIGAAW-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds4

About 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103380667) has the molecular formula C8H10N4OS2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103380667
Molecular FormulaC8H10N4OS2
Molecular Weight242.33 g/mol
Exact Mass242.03
IUPAC Name4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1cscn1
InChIInChI=1S/C8H10N4OS2/c1-13-6-7(9)12-15-8(6)10-2-5-3-14-4-11-5/h3-4,10H,2H2,1H3,(H2,9,12)
InChIKeyJRKQVTUDXIGAAW-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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5-methoxy-3-N-(1,3-thiazol-4-ylmethyl)benzene-1,3-diamine
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4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
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5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
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4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103383775
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103380667) is 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCc1cscn1.
What is the InChIKey of 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is JRKQVTUDXIGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS2/c1-13-6-7(9)12-15-8(6)10-2-5-3-14-4-11-5/h3-4,10H,2H2,1H3,(H2,9,12).
What are the key properties of 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).