2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C18H15N3O4S — CID 42835481

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H15N3O4S/c22-18(20-8-12-3-1-2-6-19-12)14-10-26-17(21-14)9-23-13-4-5-15-16(7-13)25-11-24-15/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyXIIFSHHVAQBCMJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.78
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42835481) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID42835481
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H15N3O4S/c22-18(20-8-12-3-1-2-6-19-12)14-10-26-17(21-14)9-23-13-4-5-15-16(7-13)25-11-24-15/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyXIIFSHHVAQBCMJ-UHFFFAOYSA-N
XLogP2.78
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879958
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46535966
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003447
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307141
2-[(3,5-dimethylphenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46003161
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46114003
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56702227

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 42835481) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1csc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XIIFSHHVAQBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-18(20-8-12-3-1-2-6-19-12)14-10-26-17(21-14)9-23-13-4-5-15-16(7-13)25-11-24-15/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).