1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine

C16H26N2S — CID 105019618

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1nc(C)c(C)s1)CC1CC2CCC1C2
InChIInChI=1S/C16H26N2S/c1-10-11(2)19-16(18-10)9-15(17-3)8-14-7-12-4-5-13(14)6-12/h12-15,17H,4-9H2,1-3H3
InChIKeyVDGAQZAMXLAQNM-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.72
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine (PubChem CID 105019618) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
PubChem CID105019618
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1nc(C)c(C)s1)CC1CC2CCC1C2
InChIInChI=1S/C16H26N2S/c1-10-11(2)19-16(18-10)9-15(17-3)8-14-7-12-4-5-13(14)6-12/h12-15,17H,4-9H2,1-3H3
InChIKeyVDGAQZAMXLAQNM-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66447331
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
CID 106867858
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999502
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
CID 43485358
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002974
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999908

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine (CID 105019618) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine is CNC(Cc1nc(C)c(C)s1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is VDGAQZAMXLAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-10-11(2)19-16(18-10)9-15(17-3)8-14-7-12-4-5-13(14)6-12/h12-15,17H,4-9H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105019618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).