N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine

C15H22N2S — CID 28780792

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine
SMILESCc1nc(CNC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H22N2S/c1-10-17-14(9-18-10)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,11-13,16H,2-8H2,1H3
InChIKeyASOZFXBTJWKWLD-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.51
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine (PubChem CID 28780792) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine
PubChem CID28780792
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine
SMILESCc1nc(CNC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H22N2S/c1-10-17-14(9-18-10)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,11-13,16H,2-8H2,1H3
InChIKeyASOZFXBTJWKWLD-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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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757228
1-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757607
1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757626
1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757827
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759857
N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 114216386
N-[[2-(3,3-difluorocyclohexyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 114216387
1-(3,3-difluorocyclohexyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114223762
N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 8024913
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56711769
2-(1-adamantyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 21973926

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine (CID 28780792) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine is Cc1nc(CNC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine?
The InChIKey is ASOZFXBTJWKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10-17-14(9-18-10)8-16-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,11-13,16H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantan-1-amine?
N-[(2-methyl-1,3-thiazol-4-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-4-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 28780792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).