N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C14H11N3O3S — CID 110851780

IUPACN-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1csc2nccn12
InChIInChI=1S/C14H11N3O3S/c18-13(10-7-21-14-15-3-4-17(10)14)16-6-9-1-2-11-12(5-9)20-8-19-11/h1-5,7H,6,8H2,(H,16,18)
InChIKeyWJNPLUFWKAMOMO-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.05
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 110851780) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID110851780
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1csc2nccn12
InChIInChI=1S/C14H11N3O3S/c18-13(10-7-21-14-15-3-4-17(10)14)16-6-9-1-2-11-12(5-9)20-8-19-11/h1-5,7H,6,8H2,(H,16,18)
InChIKeyWJNPLUFWKAMOMO-UHFFFAOYSA-N
XLogP2.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 53054931
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72901757
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-(1,3-benzodioxol-5-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384607
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171426
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 110851780) is N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1csc2nccn12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is WJNPLUFWKAMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13(10-7-21-14-15-3-4-17(10)14)16-6-9-1-2-11-12(5-9)20-8-19-11/h1-5,7H,6,8H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 110851780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).