5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

C15H15N3O2S — CID 16953837

IUPAC5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)c1cc(C)on1)n2C
InChIInChI=1S/C15H15N3O2S/c1-8-5-9(2)13-12(6-8)21-15(18(13)4)16-14(19)11-7-10(3)20-17-11/h5-7H,1-4H3/b16-15-
InChIKeyNLDOZKOHQCQXKW-NXVVXOECSA-N
MW301.37 g/mol
LogP2.89
Rot. Bonds1

About 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (PubChem CID 16953837) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
PubChem CID16953837
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)c1cc(C)on1)n2C
InChIInChI=1S/C15H15N3O2S/c1-8-5-9(2)13-12(6-8)21-15(18(13)4)16-14(19)11-7-10(3)20-17-11/h5-7H,1-4H3/b16-15-
InChIKeyNLDOZKOHQCQXKW-NXVVXOECSA-N
XLogP2.89
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 4145691
N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953967
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
3-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3495808
N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953973
methyl 2-[4,6-difluoro-2-(5-methyl-1,2-oxazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 16953925
2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107793
4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043630
2-(1,3-dioxoisoindol-2-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4592901
5-methyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16954020
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5082137

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (CID 16953837) is 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is Cc1cc(C)c2c(c1)s/c(=N\C(=O)c1cc(C)on1)n2C.
What is the InChIKey of 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The InChIKey is NLDOZKOHQCQXKW-NXVVXOECSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-5-9(2)13-12(6-8)21-15(18(13)4)16-14(19)11-7-10(3)20-17-11/h5-7H,1-4H3/b16-15-.
What are the key properties of 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).