[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate

C12H21N3O3S — CID 122189557

IUPAC[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COc1nccs1)N(C)C
InChIInChI=1S/C12H21N3O3S/c1-14(2)10(5-7-17-12(16)15(3)4)9-18-11-13-6-8-19-11/h6,8,10H,5,7,9H2,1-4H3
InChIKeyPWUDNIPBEDCJJJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.54
Rot. Bonds7

About [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate

[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate (PubChem CID 122189557) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate
PubChem CID122189557
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COc1nccs1)N(C)C
InChIInChI=1S/C12H21N3O3S/c1-14(2)10(5-7-17-12(16)15(3)4)9-18-11-13-6-8-19-11/h6,8,10H,5,7,9H2,1-4H3
InChIKeyPWUDNIPBEDCJJJ-UHFFFAOYSA-N
XLogP1.54
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate (CID 122189557) is [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(COc1nccs1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate?
The InChIKey is PWUDNIPBEDCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-14(2)10(5-7-17-12(16)15(3)4)9-18-11-13-6-8-19-11/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate has a molecular weight of 287.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-(1,3-thiazol-2-yloxy)butyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122189557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).