5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C16H15BrN2O3S2 — CID 41092228

IUPAC5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H15BrN2O3S2/c1-4-19-9-7-10(21-2)11(22-3)8-13(9)24-16(19)18-15(20)12-5-6-14(17)23-12/h5-8H,4H2,1-3H3/b18-16-
InChIKeyGOIIDSVKZQBLBR-VLGSPTGOSA-N
MW427.35 g/mol
LogP4.30
Rot. Bonds4

About 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 41092228) has the molecular formula C16H15BrN2O3S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID41092228
Molecular FormulaC16H15BrN2O3S2
Molecular Weight427.35 g/mol
Exact Mass425.97
IUPAC Name5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H15BrN2O3S2/c1-4-19-9-7-10(21-2)11(22-3)8-13(9)24-16(19)18-15(20)12-5-6-14(17)23-12/h5-8H,4H2,1-3H3/b18-16-
InChIKeyGOIIDSVKZQBLBR-VLGSPTGOSA-N
XLogP4.30
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 40951488
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide
CID 42111008
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7244578
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 40509037
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 43979320
2-chloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134027
ethyl 2-[2-(4-bromobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 41007564
ethyl 2-(5-bromothiophene-2-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 3648697
methyl 2-[(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 43945502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 41092228) is 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is GOIIDSVKZQBLBR-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15BrN2O3S2/c1-4-19-9-7-10(21-2)11(22-3)8-13(9)24-16(19)18-15(20)12-5-6-14(17)23-12/h5-8H,4H2,1-3H3/b18-16-.
What are the key properties of 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 427.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 41092228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).