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

C12H10N2O3S — CID 861892

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C12H10N2O3S/c1-7(15)13-12-14-9(5-18-12)8-2-3-10-11(4-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyMQCNWSRYMJPLDS-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.50
Rot. Bonds2

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

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 861892) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID861892
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C12H10N2O3S/c1-7(15)13-12-14-9(5-18-12)8-2-3-10-11(4-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyMQCNWSRYMJPLDS-UHFFFAOYSA-N
XLogP2.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

T16AInh-A01
CID 135460621
Enoxamast
CID 194595
4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 4841050
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 861892) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MQCNWSRYMJPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7(15)13-12-14-9(5-18-12)8-2-3-10-11(4-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 262.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 861892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).