2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C18H17BrN2OS — CID 41047904

IUPAC2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C)c(C)cc21
InChIInChI=1S/C18H17BrN2OS/c1-4-21-15-9-11(2)12(3)10-16(15)23-18(21)20-17(22)13-7-5-6-8-14(13)19/h5-10H,4H2,1-3H3/b20-18-
InChIKeyIRRJFCAGIRVIKE-ZZEZOPTASA-N
MW389.32 g/mol
LogP4.84
Rot. Bonds2

About 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41047904) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41047904
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C)c(C)cc21
InChIInChI=1S/C18H17BrN2OS/c1-4-21-15-9-11(2)12(3)10-16(15)23-18(21)20-17(22)13-7-5-6-8-14(13)19/h5-10H,4H2,1-3H3/b20-18-
InChIKeyIRRJFCAGIRVIKE-ZZEZOPTASA-N
XLogP4.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
2-bromo-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 42387985
4-benzoyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979739
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892
2-bromo-N-(3-propyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 41135949
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3407742
ethyl 2-[2-(2-bromobenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
CID 5081653
N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
CID 7524955
2-methoxy-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40697673
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 40951488
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41016439

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41047904) is 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C)c(C)cc21.
What is the InChIKey of 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is IRRJFCAGIRVIKE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17BrN2OS/c1-4-21-15-9-11(2)12(3)10-16(15)23-18(21)20-17(22)13-7-5-6-8-14(13)19/h5-10H,4H2,1-3H3/b20-18-.
What are the key properties of 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 389.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41047904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).