N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

C14H20N2S — CID 114095982

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCc1ncsc1CCNC1C2C3CCC(C3)C12
InChIInChI=1S/C14H20N2S/c1-8-11(17-7-16-8)4-5-15-14-12-9-2-3-10(6-9)13(12)14/h7,9-10,12-15H,2-6H2,1H3
InChIKeyGDZHYMDDZFAMAZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114095982) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114095982
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCc1ncsc1CCNC1C2C3CCC(C3)C12
InChIInChI=1S/C14H20N2S/c1-8-11(17-7-16-8)4-5-15-14-12-9-2-3-10(6-9)13(12)14/h7,9-10,12-15H,2-6H2,1H3
InChIKeyGDZHYMDDZFAMAZ-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)-2-bicyclo[3.1.1]heptanyl]methanamine
CID 167081225
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43761074
1,7,7-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 43781107
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43787360
2,3-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 55034915
2-cyclohexyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 55035150
4-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 55035295
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 55106881
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55233228
3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 62069584
N-[(4-ethylcyclohexyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069596
N-(cyclohexylmethyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069754

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114095982) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is Cc1ncsc1CCNC1C2C3CCC(C3)C12.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is GDZHYMDDZFAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-8-11(17-7-16-8)4-5-15-14-12-9-2-3-10(6-9)13(12)14/h7,9-10,12-15H,2-6H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 248.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114095982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).