N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H13BrN2OS2 — CID 8612685

IUPACN-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3/b17-15-
InChIKeyQTBOECNVGULNBG-ICFOKQHNSA-N
MW381.32 g/mol
LogP4.68
Rot. Bonds3

About N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 8612685) has the molecular formula C15H13BrN2OS2 and a molecular weight of 381.32 g/mol. Its IUPAC name is N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID8612685
Molecular FormulaC15H13BrN2OS2
Molecular Weight381.32 g/mol
Exact Mass379.97
IUPAC NameN-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cc(Br)ccc21
InChIInChI=1S/C15H13BrN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3/b17-15-
InChIKeyQTBOECNVGULNBG-ICFOKQHNSA-N
XLogP4.68
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7540565
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43984213
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4161916
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 43984817
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 43984820
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984804
ethyl 3-[6-fluoro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8612750
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 43984735
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 43984726
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43984800
5-bromo-N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4611043

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 8612685) is N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCCn1/c(=N/C(=O)c2cccs2)sc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is QTBOECNVGULNBG-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13BrN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3/b17-15-.
What are the key properties of N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 8612685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).