N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C14H14N2O2S3 — CID 40892491

IUPACN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCc1cc2sc(=NS(=O)(=O)c3cccs3)n(C)c2cc1C
InChIInChI=1S/C14H14N2O2S3/c1-9-7-11-12(8-10(9)2)20-14(16(11)3)15-21(17,18)13-5-4-6-19-13/h4-8H,1-3H3
InChIKeyIOAWDXVKGZTPLR-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.21
Rot. Bonds2

About N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 40892491) has the molecular formula C14H14N2O2S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID40892491
Molecular FormulaC14H14N2O2S3
Molecular Weight338.48 g/mol
Exact Mass338.02
IUPAC NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCc1cc2sc(=NS(=O)(=O)c3cccs3)n(C)c2cc1C
InChIInChI=1S/C14H14N2O2S3/c1-9-7-11-12(8-10(9)2)20-14(16(11)3)15-21(17,18)13-5-4-6-19-13/h4-8H,1-3H3
InChIKeyIOAWDXVKGZTPLR-UHFFFAOYSA-N
XLogP3.21
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938162
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892464
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892489
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938154
1-thiophen-2-ylsulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 41019461
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-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938186
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892487
(NZ)-N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938161
(NZ)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938057

Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 40892491) is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is Cc1cc2sc(=NS(=O)(=O)c3cccs3)n(C)c2cc1C.
What is the InChIKey of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is IOAWDXVKGZTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S3/c1-9-7-11-12(8-10(9)2)20-14(16(11)3)15-21(17,18)13-5-4-6-19-13/h4-8H,1-3H3.
What are the key properties of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 40892491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).