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

C14H20N2S — CID 2836061

IUPAC4-(1-adamantylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C14H20N2S/c15-13-16-12(8-17-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16)
InChIKeyLANJJRUDAXCWPQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.48
Rot. Bonds2

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

4-(1-adamantylmethyl)-1,3-thiazol-2-amine (PubChem CID 2836061) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(1-adamantylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-adamantylmethyl)-1,3-thiazol-2-amine
PubChem CID2836061
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-(1-adamantylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C14H20N2S/c15-13-16-12(8-17-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16)
InChIKeyLANJJRUDAXCWPQ-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-adamantylmethyl)-1,3-thiazol-2-amine (CID 2836061) is 4-(1-adamantylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-adamantylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-adamantylmethyl)-1,3-thiazol-2-amine is Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-adamantylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LANJJRUDAXCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-13-16-12(8-17-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16).
What are the key properties of 4-(1-adamantylmethyl)-1,3-thiazol-2-amine?
4-(1-adamantylmethyl)-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2836061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).