5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine

C12H19N3OS — CID 103359681

IUPAC5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C12H19N3OS/c1-2-16-10-11(13)15-17-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyOLFMLCFIHRCCQM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.72
Rot. Bonds4

About 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine (PubChem CID 103359681) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
PubChem CID103359681
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C12H19N3OS/c1-2-16-10-11(13)15-17-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyOLFMLCFIHRCCQM-UHFFFAOYSA-N
XLogP2.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine (CID 103359681) is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NC1CC2CCC1C2.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine?
The InChIKey is OLFMLCFIHRCCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-16-10-11(13)15-17-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,2-6H2,1H3,(H2,13,15).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine has a molecular weight of 253.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).