4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine

C14H20N2S — CID 2836058

IUPAC4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2S/c1-8-12(16-13(15)17-8)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H2,15,16)
InChIKeyKEPZEVZDHSROMF-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.50
Rot. Bonds1

About 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine

4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 2836058) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID2836058
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2S/c1-8-12(16-13(15)17-8)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H2,15,16)
InChIKeyKEPZEVZDHSROMF-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine (CID 2836058) is 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is KEPZEVZDHSROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-8-12(16-13(15)17-8)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H2,15,16).
What are the key properties of 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine?
4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2836058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).