2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

C14H18N2OS — CID 4145691

IUPAC2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)C(C)C)n2C
InChIInChI=1S/C14H18N2OS/c1-8(2)13(17)15-14-16(5)12-10(4)6-9(3)7-11(12)18-14/h6-8H,1-5H3/b15-14-
InChIKeyMBEIBJIFXFREOW-PFONDFGASA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds1

About 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 4145691) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID4145691
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)C(C)C)n2C
InChIInChI=1S/C14H18N2OS/c1-8(2)13(17)15-14-16(5)12-10(4)6-9(3)7-11(12)18-14/h6-8H,1-5H3/b15-14-
InChIKeyMBEIBJIFXFREOW-PFONDFGASA-N
XLogP2.94
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4,6-dimethyl-2-(2-methylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 7153512
5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16953837
2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107793
2-(1,3-dioxoisoindol-2-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4592901
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2150950
(E)-3-(5-nitrothiophen-2-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
CID 40612519
3-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3495808
4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043630
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 40508473
N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 7152867
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152831
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 3286505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (CID 4145691) is 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is Cc1cc(C)c2c(c1)s/c(=N\C(=O)C(C)C)n2C.
What is the InChIKey of 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is MBEIBJIFXFREOW-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8(2)13(17)15-14-16(5)12-10(4)6-9(3)7-11(12)18-14/h6-8H,1-5H3/b15-14-.
What are the key properties of 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 262.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 4145691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).