1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

C17H26N2S — CID 105030493

IUPAC1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1cncs1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2S/c1-18-15(5-16-10-19-11-20-16)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10-15,18H,2-9H2,1H3
InChIKeyLMQMCIMBAYJGPR-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.88
Rot. Bonds5

About 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 105030493) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID105030493
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1cncs1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2S/c1-18-15(5-16-10-19-11-20-16)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10-15,18H,2-9H2,1H3
InChIKeyLMQMCIMBAYJGPR-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105177928
N-ethyl-2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105177931
N-[2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105177933
N-ethyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105177962
N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105178008
N-methyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178022
N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105178037
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178047
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178048
N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178076
2-(1,3-Thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178098
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178109

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 105030493) is 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is CNC(Cc1cncs1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is LMQMCIMBAYJGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-18-15(5-16-10-19-11-20-16)9-17-6-12-2-13(7-17)4-14(3-12)8-17/h10-15,18H,2-9H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 290.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 105030493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).