4-(1-adamantyl)-1,3-thiazol-2-amine

C13H18N2S — CID 616434

IUPAC4-(1-adamantyl)-1,3-thiazol-2-amine
SMILESNc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H18N2S/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H2,14,15)
InChIKeyJVJWJUQLRDIVJV-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.19
Rot. Bonds1

About 4-(1-adamantyl)-1,3-thiazol-2-amine

4-(1-adamantyl)-1,3-thiazol-2-amine (PubChem CID 616434) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-(1-adamantyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-adamantyl)-1,3-thiazol-2-amine
PubChem CID616434
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-(1-adamantyl)-1,3-thiazol-2-amine
SMILESNc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C13H18N2S/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H2,14,15)
InChIKeyJVJWJUQLRDIVJV-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-adamantyl)-1,3-thiazol-2-amine (CID 616434) is 4-(1-adamantyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-adamantyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-adamantyl)-1,3-thiazol-2-amine is Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-adamantyl)-1,3-thiazol-2-amine?
The InChIKey is JVJWJUQLRDIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c14-12-15-11(7-16-12)13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H2,14,15).
What are the key properties of 4-(1-adamantyl)-1,3-thiazol-2-amine?
4-(1-adamantyl)-1,3-thiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 616434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).