2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide

C12H10N2O3S — CID 9174003

IUPAC2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C12H10N2O3S/c13-11(15)4-12-14-8(5-18-12)7-1-2-9-10(3-7)17-6-16-9/h1-3,5H,4,6H2,(H2,13,15)
InChIKeyDVECXDMCEIPHJR-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.57
Rot. Bonds3

About 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide

2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9174003) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID9174003
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C12H10N2O3S/c13-11(15)4-12-14-8(5-18-12)7-1-2-9-10(3-7)17-6-16-9/h1-3,5H,4,6H2,(H2,13,15)
InChIKeyDVECXDMCEIPHJR-UHFFFAOYSA-N
XLogP1.57
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94283855
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
4-(1,3-benzodioxol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566810
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558505
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
4-(2-amino-2-oxoethoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 17433671
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 9174003) is 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DVECXDMCEIPHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-11(15)4-12-14-8(5-18-12)7-1-2-9-10(3-7)17-6-16-9/h1-3,5H,4,6H2,(H2,13,15).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).