N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C16H11N3O3S2 — CID 7110091

IUPACN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCc1ccc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)o1
InChIInChI=1S/C16H11N3O3S2/c1-8-2-3-11(22-8)10-6-23-15(18-10)19-16-17-9-4-12-13(21-7-20-12)5-14(9)24-16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyBFRYMTDOHQWBRX-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.79
Rot. Bonds3

About N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110091) has the molecular formula C16H11N3O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110091
Molecular FormulaC16H11N3O3S2
Molecular Weight357.42 g/mol
Exact Mass357.02
IUPAC NameN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESCc1ccc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)o1
InChIInChI=1S/C16H11N3O3S2/c1-8-2-3-11(22-8)10-6-23-15(18-10)19-16-17-9-4-12-13(21-7-20-12)5-14(9)24-16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyBFRYMTDOHQWBRX-UHFFFAOYSA-N
XLogP4.79
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110091) is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Cc1ccc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)o1.
What is the InChIKey of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is BFRYMTDOHQWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S2/c1-8-2-3-11(22-8)10-6-23-15(18-10)19-16-17-9-4-12-13(21-7-20-12)5-14(9)24-16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 357.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).