N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide

C16H13IN2OS — CID 34189654

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
SMILESCCN(C(=O)c1cccc(I)c1)c1nc2ccccc2s1
InChIInChI=1S/C16H13IN2OS/c1-2-19(15(20)11-6-5-7-12(17)10-11)16-18-13-8-3-4-9-14(13)21-16/h3-10H,2H2,1H3
InChIKeyIZSBSGYVWNRPLJ-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.57
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide (PubChem CID 34189654) has the molecular formula C16H13IN2OS and a molecular weight of 408.26 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
PubChem CID34189654
Molecular FormulaC16H13IN2OS
Molecular Weight408.26 g/mol
Exact Mass407.98
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
SMILESCCN(C(=O)c1cccc(I)c1)c1nc2ccccc2s1
InChIInChI=1S/C16H13IN2OS/c1-2-19(15(20)11-6-5-7-12(17)10-11)16-18-13-8-3-4-9-14(13)21-16/h3-10H,2H2,1H3
InChIKeyIZSBSGYVWNRPLJ-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-ethylsulfonylbenzamide
CID 41044817
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-bromobenzamide
CID 41109489
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
CID 41026972
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-6-carboxamide
CID 43961766
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
CID 18193276

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide (CID 34189654) is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide is CCN(C(=O)c1cccc(I)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide?
The InChIKey is IZSBSGYVWNRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2OS/c1-2-19(15(20)11-6-5-7-12(17)10-11)16-18-13-8-3-4-9-14(13)21-16/h3-10H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide has a molecular weight of 408.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide is sourced from PubChem (CID 34189654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).