N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide

C12H8BrN3OS2 — CID 176951831

IUPACN-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2cc(Br)c3ncsc3c2s1)C1CC1
InChIInChI=1S/C12H8BrN3OS2/c13-6-3-7-9(10-8(6)14-4-18-10)19-12(15-7)16-11(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17)
InChIKeyVSZGWJJUODJVMJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.02
Rot. Bonds2

About N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide

N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 176951831) has the molecular formula C12H8BrN3OS2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID176951831
Molecular FormulaC12H8BrN3OS2
Molecular Weight354.25 g/mol
Exact Mass352.93
IUPAC NameN-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2cc(Br)c3ncsc3c2s1)C1CC1
InChIInChI=1S/C12H8BrN3OS2/c13-6-3-7-9(10-8(6)14-4-18-10)19-12(15-7)16-11(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17)
InChIKeyVSZGWJJUODJVMJ-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 90606206
N-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentanecarboxamide
CID 56592947
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide (CID 176951831) is N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2cc(Br)c3ncsc3c2s1)C1CC1.
What is the InChIKey of N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is VSZGWJJUODJVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS2/c13-6-3-7-9(10-8(6)14-4-18-10)19-12(15-7)16-11(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17).
What are the key properties of N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide?
N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 354.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 176951831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).