4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine

C15H27N3OS — CID 103365278

IUPAC4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H27N3OS/c1-6-19-11-12(16)18-20-13(11)17-10-7-14(2,3)9-15(4,5)8-10/h10,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyCIDGPIRBAABOFY-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.14
Rot. Bonds4

About 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365278) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103365278
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H27N3OS/c1-6-19-11-12(16)18-20-13(11)17-10-7-14(2,3)9-15(4,5)8-10/h10,17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyCIDGPIRBAABOFY-UHFFFAOYSA-N
XLogP4.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103365278) is 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is CIDGPIRBAABOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-19-11-12(16)18-20-13(11)17-10-7-14(2,3)9-15(4,5)8-10/h10,17H,6-9H2,1-5H3,(H2,16,18).
What are the key properties of 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).