N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine

C18H28N2S — CID 63120775

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
SMILESCC(C)(C)c1ncc(CNC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H28N2S/c1-17(2,3)16-19-10-15(21-16)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14,20H,4-9,11H2,1-3H3
InChIKeyASCGJRSSXUKGQZ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.50
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (PubChem CID 63120775) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
PubChem CID63120775
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
SMILESCC(C)(C)c1ncc(CNC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H28N2S/c1-17(2,3)16-19-10-15(21-16)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14,20H,4-9,11H2,1-3H3
InChIKeyASCGJRSSXUKGQZ-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (CID 63120775) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is CC(C)(C)c1ncc(CNC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The InChIKey is ASCGJRSSXUKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-17(2,3)16-19-10-15(21-16)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18/h10,12-14,20H,4-9,11H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 304.50 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 63120775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).