N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide

C16H15ClN2O3S — CID 7152943

IUPACN-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(C)c21
InChIInChI=1S/C16H15ClN2O3S/c1-10-11(17)5-6-13-14(10)19(7-9-21-2)16(23-13)18-15(20)12-4-3-8-22-12/h3-6,8H,7,9H2,1-2H3/b18-16-
InChIKeyDDGUTLXNHYWPMB-VLGSPTGOSA-N
MW350.83 g/mol
LogP3.65
Rot. Bonds4

About N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide

N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide (PubChem CID 7152943) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
PubChem CID7152943
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(C)c21
InChIInChI=1S/C16H15ClN2O3S/c1-10-11(17)5-6-13-14(10)19(7-9-21-2)16(23-13)18-15(20)12-4-3-8-22-12/h3-6,8H,7,9H2,1-2H3/b18-16-
InChIKeyDDGUTLXNHYWPMB-VLGSPTGOSA-N
XLogP3.65
TPSA56.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696
N-(4,5-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4602396
N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 40888404
N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide
CID 43938893
N-[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide
CID 40886341
N-[5-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 41202679
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4618719
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
N,N'-bis[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]decanediamide
CID 43939001
N,N'-bis[5-chloro-3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]decanediamide
CID 43939553
5-bromo-N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 40886496
N-[4,5-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40886481

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide (CID 7152943) is N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide is COCCn1/c(=N/C(=O)c2ccco2)sc2ccc(Cl)c(C)c21.
What is the InChIKey of N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is DDGUTLXNHYWPMB-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-10-11(17)5-6-13-14(10)19(7-9-21-2)16(23-13)18-15(20)12-4-3-8-22-12/h3-6,8H,7,9H2,1-2H3/b18-16-.
What are the key properties of N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 350.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 7152943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).