1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

C12H20N2S — CID 115753105

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCc1nc(C(C)NCC2CC2C)c(C)s1
InChIInChI=1S/C12H20N2S/c1-7-5-11(7)6-13-8(2)12-9(3)15-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyOVCOSHNQZRCREG-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.07
Rot. Bonds4

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 115753105) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
PubChem CID115753105
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCc1nc(C(C)NCC2CC2C)c(C)s1
InChIInChI=1S/C12H20N2S/c1-7-5-11(7)6-13-8(2)12-9(3)15-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyOVCOSHNQZRCREG-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205593
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60856853
[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 113293581
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43204195
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (CID 115753105) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is Cc1nc(C(C)NCC2CC2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is OVCOSHNQZRCREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-7-5-11(7)6-13-8(2)12-9(3)15-10(4)14-12/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115753105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).