N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide

C19H16N4OS — CID 43980367

IUPACN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc4nccnc4c3)n(C)c2cc1C
InChIInChI=1S/C19H16N4OS/c1-11-8-16-17(9-12(11)2)25-19(23(16)3)22-18(24)13-4-5-14-15(10-13)21-7-6-20-14/h4-10H,1-3H3/b22-19-
InChIKeyKZRUCXNJGZXCSE-QOCHGBHMSA-N
MW348.43 g/mol
LogP3.54
Rot. Bonds1

About N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide

N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide (PubChem CID 43980367) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide
PubChem CID43980367
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc4nccnc4c3)n(C)c2cc1C
InChIInChI=1S/C19H16N4OS/c1-11-8-16-17(9-12(11)2)25-19(23(16)3)22-18(24)13-4-5-14-15(10-13)21-7-6-20-14/h4-10H,1-3H3/b22-19-
InChIKeyKZRUCXNJGZXCSE-QOCHGBHMSA-N
XLogP3.54
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722
3,4,5-triethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047816
N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide
CID 43978985
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]quinoxaline-6-carboxamide
CID 43938276
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
4-[bis(2-methylpropyl)sulfamoyl]-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979716
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845

Frequently Asked Questions

What is the IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide?
The IUPAC name of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide (CID 43980367) is N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide is Cc1cc2s/c(=N\C(=O)c3ccc4nccnc4c3)n(C)c2cc1C.
What is the InChIKey of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide?
The InChIKey is KZRUCXNJGZXCSE-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-11-8-16-17(9-12(11)2)25-19(23(16)3)22-18(24)13-4-5-14-15(10-13)21-7-6-20-14/h4-10H,1-3H3/b22-19-.
What are the key properties of N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide?
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.54, 1 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)quinoxaline-6-carboxamide is sourced from PubChem (CID 43980367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).