N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C14H10Cl2N2O2S — CID 4602396

IUPACN-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C14H10Cl2N2O2S/c1-2-18-12-10(6-5-8(15)11(12)16)21-14(18)17-13(19)9-4-3-7-20-9/h3-7H,2H2,1H3/b17-14-
InChIKeyWJOLHIQPONBQKY-VKAVYKQESA-N
MW341.22 g/mol
LogP4.36
Rot. Bonds2

About N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 4602396) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID4602396
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC NameN-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C14H10Cl2N2O2S/c1-2-18-12-10(6-5-8(15)11(12)16)21-14(18)17-13(19)9-4-3-7-20-9/h3-7H,2H2,1H3/b17-14-
InChIKeyWJOLHIQPONBQKY-VKAVYKQESA-N
XLogP4.36
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 7152943
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 2104761
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
ethyl 2-[2-(4-benzylbenzoyl)imino-4,5-dichloro-1,3-benzothiazol-3-yl]acetate
CID 43941709
4-chloro-N-[4,5-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939019
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4295262
4-benzyl-N-(4,5-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946340
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
4-[butyl(ethyl)sulfamoyl]-N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4122255

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 4602396) is N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is CCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(Cl)c21.
What is the InChIKey of N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is WJOLHIQPONBQKY-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-2-18-12-10(6-5-8(15)11(12)16)21-14(18)17-13(19)9-4-3-7-20-9/h3-7H,2H2,1H3/b17-14-.
What are the key properties of N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 341.22 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 4602396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).