4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

C18H14N2O4S — CID 2531056

IUPAC4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESc1cc2c(cc1Nc1nc(-c3ccc4c(c3)OCO4)cs1)OCCO2
InChIInChI=1S/C18H14N2O4S/c1-3-15-16(24-10-23-15)7-11(1)13-9-25-18(20-13)19-12-2-4-14-17(8-12)22-6-5-21-14/h1-4,7-9H,5-6,10H2,(H,19,20)
InChIKeySJKGNGKFBYHUHE-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.05
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (PubChem CID 2531056) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
PubChem CID2531056
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
SMILESc1cc2c(cc1Nc1nc(-c3ccc4c(c3)OCO4)cs1)OCCO2
InChIInChI=1S/C18H14N2O4S/c1-3-15-16(24-10-23-15)7-11(1)13-9-25-18(20-13)19-12-2-4-14-17(8-12)22-6-5-21-14/h1-4,7-9H,5-6,10H2,(H,19,20)
InChIKeySJKGNGKFBYHUHE-UHFFFAOYSA-N
XLogP4.05
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
4-[2-(Benzo[1,3]dioxol-5-ylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44383520
4-(1,3-benzodioxol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 142727014
N-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazol-2-amine
CID 684847
N-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 873133
N-(4,5-Dimethyl-thiazol-2-yl)-2-(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-acetamide
CID 1173483
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 2307751
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 4965920
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5206092
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine (CID 2531056) is 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is c1cc2c(cc1Nc1nc(-c3ccc4c(c3)OCO4)cs1)OCCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is SJKGNGKFBYHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-3-15-16(24-10-23-15)7-11(1)13-9-25-18(20-13)19-12-2-4-14-17(8-12)22-6-5-21-14/h1-4,7-9H,5-6,10H2,(H,19,20).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine?
4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 354.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2531056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).