1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine

C13H20N2S — CID 105015334

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(Cc1nccs1)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2S/c14-12(8-13-15-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h3-4,9-12H,1-2,5-8,14H2
InChIKeyKIZDKGOINKVSTG-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 105015334) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID105015334
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(Cc1nccs1)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2S/c14-12(8-13-15-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h3-4,9-12H,1-2,5-8,14H2
InChIKeyKIZDKGOINKVSTG-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 80535161
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
CID 55223192
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 104999302
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 112727149
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
1-(2-bicyclo[2.2.1]heptanyl)-3-(5-bromo-2-fluorophenyl)propan-2-amine
CID 115839806
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62998246

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine (CID 105015334) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine is NC(Cc1nccs1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KIZDKGOINKVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c14-12(8-13-15-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h3-4,9-12H,1-2,5-8,14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 236.38 g/mol, XLogP of 2.84, 4 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-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 105015334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).