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

C14H25N3OS — CID 103364709

IUPAC5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCCC(C)(C)C1
InChIInChI=1S/C14H25N3OS/c1-9(2)18-11-12(15)17-19-13(11)16-10-6-5-7-14(3,4)8-10/h9-10,16H,5-8H2,1-4H3,(H2,15,17)
InChIKeyJSAPGJCJARVXIO-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.89
Rot. Bonds4

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

5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103364709) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103364709
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCCC(C)(C)C1
InChIInChI=1S/C14H25N3OS/c1-9(2)18-11-12(15)17-19-13(11)16-10-6-5-7-14(3,4)8-10/h9-10,16H,5-8H2,1-4H3,(H2,15,17)
InChIKeyJSAPGJCJARVXIO-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103364709) is 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NC1CCCC(C)(C)C1.
What is the InChIKey of 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is JSAPGJCJARVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(2)18-11-12(15)17-19-13(11)16-10-6-5-7-14(3,4)8-10/h9-10,16H,5-8H2,1-4H3,(H2,15,17).
What are the key properties of 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 283.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).