N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine

C11H16N2S — CID 130941268

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
SMILESCC(NC1CC2CC2C1)c1nccs1
InChIInChI=1S/C11H16N2S/c1-7(11-12-2-3-14-11)13-10-5-8-4-9(8)6-10/h2-3,7-10,13H,4-6H2,1H3
InChIKeyIQOCPRKQZPEHOY-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine

N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine (PubChem CID 130941268) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
PubChem CID130941268
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
SMILESCC(NC1CC2CC2C1)c1nccs1
InChIInChI=1S/C11H16N2S/c1-7(11-12-2-3-14-11)13-10-5-8-4-9(8)6-10/h2-3,7-10,13H,4-6H2,1H3
InChIKeyIQOCPRKQZPEHOY-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364634
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutane-1-carbonitrile
CID 64904016
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852361
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine (CID 130941268) is N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine is CC(NC1CC2CC2C1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine?
The InChIKey is IQOCPRKQZPEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7(11-12-2-3-14-11)13-10-5-8-4-9(8)6-10/h2-3,7-10,13H,4-6H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine has a molecular weight of 208.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 130941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).