N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide

C14H12BrN3O2S — CID 16953973

IUPACN-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2cc(C)on2)sc2cccc(Br)c21
InChIInChI=1S/C14H12BrN3O2S/c1-3-18-12-9(15)5-4-6-11(12)21-14(18)16-13(19)10-7-8(2)20-17-10/h4-7H,3H2,1-2H3/b16-14-
InChIKeySFCYFNWTYXBUAL-PEZBUJJGSA-N
MW366.24 g/mol
LogP3.52
Rot. Bonds2

About N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide

N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16953973) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID16953973
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2cc(C)on2)sc2cccc(Br)c21
InChIInChI=1S/C14H12BrN3O2S/c1-3-18-12-9(15)5-4-6-11(12)21-14(18)16-13(19)10-7-8(2)20-17-10/h4-7H,3H2,1-2H3/b16-14-
InChIKeySFCYFNWTYXBUAL-PEZBUJJGSA-N
XLogP3.52
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 7154096
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide
CID 42388032
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042586
4-(benzenesulfonamido)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043813
5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16954020
5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16953837
2-benzylsulfonyl-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523773
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1,2-oxazole-3-carboxamide
CID 16953899
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953967

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide (CID 16953973) is N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide is CCn1/c(=N/C(=O)c2cc(C)on2)sc2cccc(Br)c21.
What is the InChIKey of N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SFCYFNWTYXBUAL-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-3-18-12-9(15)5-4-6-11(12)21-14(18)16-13(19)10-7-8(2)20-17-10/h4-7H,3H2,1-2H3/b16-14-.
What are the key properties of N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).