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

C16H22N2O2S — CID 62443618

IUPACN-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1ncsc1CCOCc1cc(CNC2CC2)oc1C
InChIInChI=1S/C16H22N2O2S/c1-11-16(21-10-18-11)5-6-19-9-13-7-15(20-12(13)2)8-17-14-3-4-14/h7,10,14,17H,3-6,8-9H2,1-2H3
InChIKeyACDCNPFIKACQRY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.36
Rot. Bonds8

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

N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62443618) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62443618
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1ncsc1CCOCc1cc(CNC2CC2)oc1C
InChIInChI=1S/C16H22N2O2S/c1-11-16(21-10-18-11)5-6-19-9-13-7-15(20-12(13)2)8-17-14-3-4-14/h7,10,14,17H,3-6,8-9H2,1-2H3
InChIKeyACDCNPFIKACQRY-UHFFFAOYSA-N
XLogP3.36
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 66226191
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62443797
N-[[5-methyl-4-(oxolan-2-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446310
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[[5-methyl-4-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62441084
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 64601067
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (CID 62443618) is N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is Cc1ncsc1CCOCc1cc(CNC2CC2)oc1C.
What is the InChIKey of N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ACDCNPFIKACQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-16(21-10-18-11)5-6-19-9-13-7-15(20-12(13)2)8-17-14-3-4-14/h7,10,14,17H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 306.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62443618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).