5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C15H27N3OS — CID 103360985

IUPAC5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCC(Nc1snc(N)c1OC(C)C)C1CCCCC1
InChIInChI=1S/C15H27N3OS/c1-4-12(11-8-6-5-7-9-11)17-15-13(19-10(2)3)14(16)18-20-15/h10-12,17H,4-9H2,1-3H3,(H2,16,18)
InChIKeyXKLJESYXRJYXNU-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.28
Rot. Bonds6

About 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360985) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360985
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCC(Nc1snc(N)c1OC(C)C)C1CCCCC1
InChIInChI=1S/C15H27N3OS/c1-4-12(11-8-6-5-7-9-11)17-15-13(19-10(2)3)14(16)18-20-15/h10-12,17H,4-9H2,1-3H3,(H2,16,18)
InChIKeyXKLJESYXRJYXNU-UHFFFAOYSA-N
XLogP4.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360985) is 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCC(Nc1snc(N)c1OC(C)C)C1CCCCC1.
What is the InChIKey of 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is XKLJESYXRJYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-12(11-8-6-5-7-9-11)17-15-13(19-10(2)3)14(16)18-20-15/h10-12,17H,4-9H2,1-3H3,(H2,16,18).
What are the key properties of 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 297.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).