N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

C18H14N2O3S — CID 110443683

IUPACN-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1ccccc1-c1nccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O3S/c21-17(12-5-6-15-16(9-12)23-11-22-15)20-10-13-3-1-2-4-14(13)18-19-7-8-24-18/h1-9H,10-11H2,(H,20,21)
InChIKeySELQINBFLHVEKX-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.47
Rot. Bonds4

About N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110443683) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110443683
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1ccccc1-c1nccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O3S/c21-17(12-5-6-15-16(9-12)23-11-22-15)20-10-13-3-1-2-4-14(13)18-19-7-8-24-18/h1-9H,10-11H2,(H,20,21)
InChIKeySELQINBFLHVEKX-UHFFFAOYSA-N
XLogP3.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-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-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91817251
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 4159784
5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 110451969
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 122263824
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 108540330

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 110443683) is N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1ccccc1-c1nccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SELQINBFLHVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-17(12-5-6-15-16(9-12)23-11-22-15)20-10-13-3-1-2-4-14(13)18-19-7-8-24-18/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110443683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).