4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine

C11H9ClN2O2S — CID 2986747

IUPAC4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3c(cc2Cl)OCCO3)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-7-4-10-9(15-1-2-16-10)3-6(7)8-5-17-11(13)14-8/h3-5H,1-2H2,(H2,13,14)
InChIKeyUJRSOTQEMKMWCD-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.82
Rot. Bonds1

About 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine

4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine (PubChem CID 2986747) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine
PubChem CID2986747
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc3c(cc2Cl)OCCO3)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-7-4-10-9(15-1-2-16-10)3-6(7)8-5-17-11(13)14-8/h3-5H,1-2H2,(H2,13,14)
InChIKeyUJRSOTQEMKMWCD-UHFFFAOYSA-N
XLogP2.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
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
4-(4-(4-Chlorophenoxy)Phenyl)Thiazol-2-Amine
CID 11201263
2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 2356872
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 4245044
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 5079801
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-thiazolamine
CID 6494193
4-(2,3-Dihydro-benzo[1,4]dioxin-6-YL)-3H-thiazol-2-ylideneamine hydrochloride
CID 6603336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 7176120

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine (CID 2986747) is 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc3c(cc2Cl)OCCO3)cs1.
What is the InChIKey of 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is UJRSOTQEMKMWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-7-4-10-9(15-1-2-16-10)3-6(7)8-5-17-11(13)14-8/h3-5H,1-2H2,(H2,13,14).
What are the key properties of 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine?
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 268.72 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2986747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).