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

C11H19ClN2S — CID 115680327

IUPACN-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCCC1(CNCc2nc(C)cs2)CC1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-3-11(4-5-11)8-12-6-10-13-9(2)7-14-10;/h7,12H,3-6,8H2,1-2H3;1H
InChIKeyFOQPKEZVUBJEJZ-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.15
Rot. Bonds5

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

N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride (PubChem CID 115680327) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
PubChem CID115680327
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCCC1(CNCc2nc(C)cs2)CC1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-3-11(4-5-11)8-12-6-10-13-9(2)7-14-10;/h7,12H,3-6,8H2,1-2H3;1H
InChIKeyFOQPKEZVUBJEJZ-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 115435528
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115453861
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 115765812
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673976
2-[1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756582
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115445024
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride (CID 115680327) is N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride is CCC1(CNCc2nc(C)cs2)CC1.Cl.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The InChIKey is FOQPKEZVUBJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.ClH/c1-3-11(4-5-11)8-12-6-10-13-9(2)7-14-10;/h7,12H,3-6,8H2,1-2H3;1H.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride has a molecular weight of 246.81 g/mol, XLogP of 3.15, 5 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-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 115680327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).