N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine

C12H20N2S — CID 103735496

IUPACN-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
SMILESCCc1nc(CNCC2(CC)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-11-14-10(8-15-11)7-13-9-12(4-2)5-6-12/h8,13H,3-7,9H2,1-2H3
InChIKeyJXEMIIMILNPXIU-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.99
Rot. Bonds6

About N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine

N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine (PubChem CID 103735496) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
PubChem CID103735496
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
SMILESCCc1nc(CNCC2(CC)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-11-14-10(8-15-11)7-13-9-12(4-2)5-6-12/h8,13H,3-7,9H2,1-2H3
InChIKeyJXEMIIMILNPXIU-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine (CID 103735496) is N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine is CCc1nc(CNCC2(CC)CC2)cs1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is JXEMIIMILNPXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-11-14-10(8-15-11)7-13-9-12(4-2)5-6-12/h8,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 103735496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).