N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C14H24N4OS — CID 66214288

IUPACN-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCN(Cc1csc(N(CC)C(C)=O)n1)C1CNC1
InChIInChI=1S/C14H24N4OS/c1-4-6-17(13-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3
InChIKeyJLAVQCBBFQLDHH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.70
Rot. Bonds7

About N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 66214288) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID66214288
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCN(Cc1csc(N(CC)C(C)=O)n1)C1CNC1
InChIInChI=1S/C14H24N4OS/c1-4-6-17(13-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3
InChIKeyJLAVQCBBFQLDHH-UHFFFAOYSA-N
XLogP1.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 66214288) is N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCCN(Cc1csc(N(CC)C(C)=O)n1)C1CNC1.
What is the InChIKey of N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is JLAVQCBBFQLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-6-17(13-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 296.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 66214288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).