4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine

C11H17N5O2S — CID 103360108

IUPAC4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1Nc1cnn(CCOC)c1
InChIInChI=1S/C11H17N5O2S/c1-3-18-9-10(12)15-19-11(9)14-8-6-13-16(7-8)4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H2,12,15)
InChIKeyPQIYFMNCLPYZTG-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.71
Rot. Bonds7

About 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine (PubChem CID 103360108) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
PubChem CID103360108
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1Nc1cnn(CCOC)c1
InChIInChI=1S/C11H17N5O2S/c1-3-18-9-10(12)15-19-11(9)14-8-6-13-16(7-8)4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H2,12,15)
InChIKeyPQIYFMNCLPYZTG-UHFFFAOYSA-N
XLogP1.71
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine (CID 103360108) is 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1Nc1cnn(CCOC)c1.
What is the InChIKey of 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine?
The InChIKey is PQIYFMNCLPYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-3-18-9-10(12)15-19-11(9)14-8-6-13-16(7-8)4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine has a molecular weight of 283.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).