N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide

C18H23N3OS — CID 163257191

IUPACN-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide
SMILESCNC1(CNC=O)CN(Cc2ccccc2-c2ccc(C)s2)C1
InChIInChI=1S/C18H23N3OS/c1-14-7-8-17(23-14)16-6-4-3-5-15(16)9-21-11-18(12-21,19-2)10-20-13-22/h3-8,13,19H,9-12H2,1-2H3,(H,20,22)
InChIKeyMDNHNOGHVJYRBQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.24
Rot. Bonds7

About N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide

N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide (PubChem CID 163257191) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide
PubChem CID163257191
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide
SMILESCNC1(CNC=O)CN(Cc2ccccc2-c2ccc(C)s2)C1
InChIInChI=1S/C18H23N3OS/c1-14-7-8-17(23-14)16-6-4-3-5-15(16)9-21-11-18(12-21,19-2)10-20-13-22/h3-8,13,19H,9-12H2,1-2H3,(H,20,22)
InChIKeyMDNHNOGHVJYRBQ-UHFFFAOYSA-N
XLogP2.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169385414
[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
CID 165167900
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 155687565
1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine
CID 164918960
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2,2-dimethyl-5-[[2-(5-methylthiophen-2-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168600381
N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
CID 166408370
N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
CID 139326802
2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide
CID 10133945
(E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969652

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide?
The IUPAC name of N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide (CID 163257191) is N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide?
The canonical SMILES for N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide is CNC1(CNC=O)CN(Cc2ccccc2-c2ccc(C)s2)C1.
What is the InChIKey of N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide?
The InChIKey is MDNHNOGHVJYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-7-8-17(23-14)16-6-4-3-5-15(16)9-21-11-18(12-21,19-2)10-20-13-22/h3-8,13,19H,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide?
N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide has a molecular weight of 329.47 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylamino)-1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]azetidin-3-yl]methyl]formamide is sourced from PubChem (CID 163257191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).