4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride

C15H23ClN2S — CID 2834325

IUPAC4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1.Cl
InChIInChI=1S/C15H22N2S.ClH/c1-2-16-14-17-13(9-18-14)15-6-10-3-11(7-15)5-12(4-10)8-15;/h9-12H,2-8H2,1H3,(H,16,17);1H
InChIKeyMZASUJXCQVMVRX-UHFFFAOYSA-N
MW298.88 g/mol
LogP4.46
Rot. Bonds3

About 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride

4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 2834325) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID2834325
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1.Cl
InChIInChI=1S/C15H22N2S.ClH/c1-2-16-14-17-13(9-18-14)15-6-10-3-11(7-15)5-12(4-10)8-15;/h9-12H,2-8H2,1H3,(H,16,17);1H
InChIKeyMZASUJXCQVMVRX-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride (CID 2834325) is 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride is CCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1.Cl.
What is the InChIKey of 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is MZASUJXCQVMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S.ClH/c1-2-16-14-17-13(9-18-14)15-6-10-3-11(7-15)5-12(4-10)8-15;/h9-12H,2-8H2,1H3,(H,16,17);1H.
What are the key properties of 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride?
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 2834325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).