N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine

C15H22N2S — CID 87196019

IUPACN-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C15H22N2S/c1-2-13-8-16-15(18-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h8-12,14H,2-7H2,1H3,(H,16,17)
InChIKeyARHZZRADNNXXAA-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.94
Rot. Bonds3

About N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine

N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine (PubChem CID 87196019) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine
PubChem CID87196019
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C15H22N2S/c1-2-13-8-16-15(18-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h8-12,14H,2-7H2,1H3,(H,16,17)
InChIKeyARHZZRADNNXXAA-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine (CID 87196019) is N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine is CCc1cnc(NC2C3CC4CC(C3)CC2C4)s1.
What is the InChIKey of N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is ARHZZRADNNXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-13-8-16-15(18-13)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h8-12,14H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine?
N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87196019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).