1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate

C15H15N3O2S — CID 53323263

IUPAC1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2)sc2nccn12
InChIInChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)
InChIKeyDOEHRRKVBJGRIT-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.01
Rot. Bonds3

About 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate

1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate (PubChem CID 53323263) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate
PubChem CID53323263
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2)sc2nccn12
InChIInChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)
InChIKeyDOEHRRKVBJGRIT-UHFFFAOYSA-N
XLogP4.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk2210875
CID 1489963
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-pyridin-3-ylcarbamate
CID 44136109
1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-phenylcarbamate
CID 44136507
1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate
CID 53325899
[(1R)-1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl] N-(3-fluorophenyl)carbamate
CID 53316688
1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
CID 3655510
(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl N-phenylcarbamate
CID 44136508
(E)-N-(2-aminophenyl)-3-(6-(ethoxymethyl)imidazo[2,1-b]thiazol-2-yl)acrylamide
CID 60198613
[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
CID 1489964
[2-(4-Fluoroanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl] imidazole-1-carboxylate
CID 145989360
(2-Anilino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl) imidazole-1-carboxylate
CID 145991897
Methyl imidazo[2,1-b][1,3]benzothiazol-2-ylcarbamate
CID 355084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate?
The IUPAC name of 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate (CID 53323263) is 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate.
What is the SMILES notation for 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate?
The canonical SMILES for 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate is Cc1c(C(C)OC(=O)Nc2ccccc2)sc2nccn12.
What is the InChIKey of 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate?
The InChIKey is DOEHRRKVBJGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19).
What are the key properties of 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate?
1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate has a molecular weight of 301.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate is sourced from PubChem (CID 53323263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).