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

C15H22N2S — CID 54868672

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
SMILESCc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H22N2S/c1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3
InChIKeySSTIVNAJHBUQKM-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.51
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (PubChem CID 54868672) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
PubChem CID54868672
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
SMILESCc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H22N2S/c1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3
InChIKeySSTIVNAJHBUQKM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine (CID 54868672) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
The InChIKey is SSTIVNAJHBUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h8,11-13,17H,2-7,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 54868672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).