(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C14H14N2O2S3 — CID 16938162

IUPAC(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1cccs1)n2C
InChIInChI=1S/C14H14N2O2S3/c1-3-10-6-7-11-12(9-10)20-14(16(11)2)15-21(17,18)13-5-4-8-19-13/h4-9H,3H2,1-2H3/b15-14-
InChIKeyQHSGHXXCHRTYAN-PFONDFGASA-N
MW338.48 g/mol
LogP3.15
Rot. Bonds3

About (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938162) has the molecular formula C14H14N2O2S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID16938162
Molecular FormulaC14H14N2O2S3
Molecular Weight338.48 g/mol
Exact Mass338.02
IUPAC Name(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1cccs1)n2C
InChIInChI=1S/C14H14N2O2S3/c1-3-10-6-7-11-12(9-10)20-14(16(11)2)15-21(17,18)13-5-4-8-19-13/h4-9H,3H2,1-2H3/b15-14-
InChIKeyQHSGHXXCHRTYAN-PFONDFGASA-N
XLogP3.15
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892464
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892491
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892331
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 42554002
(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938161
ethyl (2Z)-3-(2-methoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate
CID 16938065
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892489
ethyl 3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate
CID 40892379
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938080

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938162) is (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is CCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1cccs1)n2C.
What is the InChIKey of (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is QHSGHXXCHRTYAN-PFONDFGASA-N. The full InChI is InChI=1S/C14H14N2O2S3/c1-3-10-6-7-11-12(9-10)20-14(16(11)2)15-21(17,18)13-5-4-8-19-13/h4-9H,3H2,1-2H3/b15-14-.
What are the key properties of (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 16938162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).