2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine

C11H19N3S — CID 65481332

IUPAC2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
SMILESCN(Cc1cscn1)CC1(CCN)CC1
InChIInChI=1S/C11H19N3S/c1-14(6-10-7-15-9-13-10)8-11(2-3-11)4-5-12/h7,9H,2-6,8,12H2,1H3
InChIKeyZTGCNQJMCINVSN-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine

2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine (PubChem CID 65481332) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
PubChem CID65481332
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
SMILESCN(Cc1cscn1)CC1(CCN)CC1
InChIInChI=1S/C11H19N3S/c1-14(6-10-7-15-9-13-10)8-11(2-3-11)4-5-12/h7,9H,2-6,8,12H2,1H3
InChIKeyZTGCNQJMCINVSN-UHFFFAOYSA-N
XLogP1.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391838
N'-methyl-N'-(1,3-thiazol-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110740
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63155065
N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 104682080
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65480533
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine (CID 65481332) is 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine is CN(Cc1cscn1)CC1(CCN)CC1.
What is the InChIKey of 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine?
The InChIKey is ZTGCNQJMCINVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14(6-10-7-15-9-13-10)8-11(2-3-11)4-5-12/h7,9H,2-6,8,12H2,1H3.
What are the key properties of 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine?
2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).