2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2OS — CID 40885528

IUPAC2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c1
InChIInChI=1S/C19H20N2OS/c1-11-6-7-12(2)15(10-11)18(22)20-19-21(5)16-13(3)8-9-14(4)17(16)23-19/h6-10H,1-5H3/b20-19-
InChIKeyZRTNCHPVSIJRFN-VXPUYCOJSA-N
MW324.45 g/mol
LogP4.21
Rot. Bonds1

About 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885528) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885528
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c1
InChIInChI=1S/C19H20N2OS/c1-11-6-7-12(2)15(10-11)18(22)20-19-21(5)16-13(3)8-9-14(4)17(16)23-19/h6-10H,1-5H3/b20-19-
InChIKeyZRTNCHPVSIJRFN-VXPUYCOJSA-N
XLogP4.21
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41019313
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885678
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152680
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885080
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 43944695
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
2,5-dimethyl-N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40886274
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885528) is 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1ccc(C)c(C(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c1.
What is the InChIKey of 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ZRTNCHPVSIJRFN-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-11-6-7-12(2)15(10-11)18(22)20-19-21(5)16-13(3)8-9-14(4)17(16)23-19/h6-10H,1-5H3/b20-19-.
What are the key properties of 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 324.45 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).