N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine

C13H22N2OS — CID 62445140

IUPACN-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCc1scnc1C
InChIInChI=1S/C13H22N2OS/c1-3-12(8-14-11-4-5-11)16-7-6-13-10(2)15-9-17-13/h9,11-12,14H,3-8H2,1-2H3
InChIKeyKJNCHODWFZFSME-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.54
Rot. Bonds8

About N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine

N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine (PubChem CID 62445140) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
PubChem CID62445140
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCc1scnc1C
InChIInChI=1S/C13H22N2OS/c1-3-12(8-14-11-4-5-11)16-7-6-13-10(2)15-9-17-13/h9,11-12,14H,3-8H2,1-2H3
InChIKeyKJNCHODWFZFSME-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 55077594
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 62069776
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
N-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
N-cyclopropyl-N',2-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63838775
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443618
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine (CID 62445140) is N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine is CCC(CNC1CC1)OCCc1scnc1C.
What is the InChIKey of N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine?
The InChIKey is KJNCHODWFZFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-12(8-14-11-4-5-11)16-7-6-13-10(2)15-9-17-13/h9,11-12,14H,3-8H2,1-2H3.
What are the key properties of N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine?
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine has a molecular weight of 254.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine is sourced from PubChem (CID 62445140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).