N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine

C18H14N4O2S4 — CID 43968677

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
SMILESCOc1cc(OC)c2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1
InChIInChI=1S/C18H14N4O2S4/c1-23-8-6-11(24-2)13-12(7-8)26-17(21-13)22-16-19-9-4-5-10-15(14(9)27-16)28-18(20-10)25-3/h4-7H,1-3H3,(H,19,21,22)
InChIKeyDTLSHXPPCFQYKC-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.00
Rot. Bonds5

About N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine (PubChem CID 43968677) has the molecular formula C18H14N4O2S4 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
PubChem CID43968677
Molecular FormulaC18H14N4O2S4
Molecular Weight446.60 g/mol
Exact Mass446.00
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
SMILESCOc1cc(OC)c2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1
InChIInChI=1S/C18H14N4O2S4/c1-23-8-6-11(24-2)13-12(7-8)26-17(21-13)22-16-19-9-4-5-10-15(14(9)27-16)28-18(20-10)25-3/h4-7H,1-3H3,(H,19,21,22)
InChIKeyDTLSHXPPCFQYKC-UHFFFAOYSA-N
XLogP6.00
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 16814104
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 52906521
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
6-fluoro-4-methoxy-2-methylsulfanyl-1,3-benzothiazole
CID 175121247
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine (CID 43968677) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine is COc1cc(OC)c2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine?
The InChIKey is DTLSHXPPCFQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S4/c1-23-8-6-11(24-2)13-12(7-8)26-17(21-13)22-16-19-9-4-5-10-15(14(9)27-16)28-18(20-10)25-3/h4-7H,1-3H3,(H,19,21,22).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine has a molecular weight of 446.60 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine is sourced from PubChem (CID 43968677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).