N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine

C17H10FN3OS2 — CID 43968431

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine
SMILESFc1cccc2sc(Nc3nc4c(s3)COc3ccccc3-4)nc12
InChIInChI=1S/C17H10FN3OS2/c18-10-5-3-7-12-15(10)20-17(23-12)21-16-19-14-9-4-1-2-6-11(9)22-8-13(14)24-16/h1-7H,8H2,(H,19,20,21)
InChIKeyKYEKQLQIBABKTB-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.19
Rot. Bonds2

About N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine

N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine (PubChem CID 43968431) has the molecular formula C17H10FN3OS2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine
PubChem CID43968431
Molecular FormulaC17H10FN3OS2
Molecular Weight355.42 g/mol
Exact Mass355.02
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine
SMILESFc1cccc2sc(Nc3nc4c(s3)COc3ccccc3-4)nc12
InChIInChI=1S/C17H10FN3OS2/c18-10-5-3-7-12-15(10)20-17(23-12)21-16-19-14-9-4-1-2-6-11(9)22-8-13(14)24-16/h1-7H,8H2,(H,19,20,21)
InChIKeyKYEKQLQIBABKTB-UHFFFAOYSA-N
XLogP5.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine (CID 43968431) is N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine is Fc1cccc2sc(Nc3nc4c(s3)COc3ccccc3-4)nc12.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The InChIKey is KYEKQLQIBABKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3OS2/c18-10-5-3-7-12-15(10)20-17(23-12)21-16-19-14-9-4-1-2-6-11(9)22-8-13(14)24-16/h1-7H,8H2,(H,19,20,21).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine has a molecular weight of 355.42 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 43968431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).