2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile

C9H4ClN5S2 — CID 15180033

IUPAC2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile
SMILESN#Cc1c2sc(N)nc2c(Cl)c2nc(N)sc12
InChIInChI=1S/C9H4ClN5S2/c10-3-4-6(16-8(12)14-4)2(1-11)7-5(3)15-9(13)17-7/h(H2,12,14)(H2,13,15)
InChIKeyHSOWWQNFYIFDRG-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.60
Rot. Bonds

About 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile

2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile (PubChem CID 15180033) has the molecular formula C9H4ClN5S2 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile.

Molecular Properties

Compound Name2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile
PubChem CID15180033
Molecular FormulaC9H4ClN5S2
Molecular Weight281.75 g/mol
Exact Mass280.96
IUPAC Name2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile
SMILESN#Cc1c2sc(N)nc2c(Cl)c2nc(N)sc12
InChIInChI=1S/C9H4ClN5S2/c10-3-4-6(16-8(12)14-4)2(1-11)7-5(3)15-9(13)17-7/h(H2,12,14)(H2,13,15)
InChIKeyHSOWWQNFYIFDRG-UHFFFAOYSA-N
XLogP2.60
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile?
The IUPAC name of 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile (CID 15180033) is 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile.
What is the SMILES notation for 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile?
The canonical SMILES for 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile is N#Cc1c2sc(N)nc2c(Cl)c2nc(N)sc12.
What is the InChIKey of 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile?
The InChIKey is HSOWWQNFYIFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN5S2/c10-3-4-6(16-8(12)14-4)2(1-11)7-5(3)15-9(13)17-7/h(H2,12,14)(H2,13,15).
What are the key properties of 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile?
2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile has a molecular weight of 281.75 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-chloro-[1,3]thiazolo[4,5-f][1,3]benzothiazole-8-carbonitrile is sourced from PubChem (CID 15180033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).