N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline

C16H17N3S — CID 838386

IUPACN,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline
SMILESCN(C)c1ccc(/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3S/c1-18(2)13-10-8-12(9-11-13)17-16-19(3)14-6-4-5-7-15(14)20-16/h4-11H,1-3H3/b17-16-
InChIKeyCFYDYDSEOZWOKG-MSUUIHNZSA-N
MW283.40 g/mol
LogP3.54
Rot. Bonds2

About N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline

N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline (PubChem CID 838386) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline
PubChem CID838386
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline
SMILESCN(C)c1ccc(/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3S/c1-18(2)13-10-8-12(9-11-13)17-16-19(3)14-6-4-5-7-15(14)20-16/h4-11H,1-3H3/b17-16-
InChIKeyCFYDYDSEOZWOKG-MSUUIHNZSA-N
XLogP3.54
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
CID 6364530
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
3-Methyl-2-benzothiazolinone hydrazone
CID 5359575
(S)-2-Phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine
CID 24827682
2-Hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazole hydrochloride
CID 5483192

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline?
The IUPAC name of N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline (CID 838386) is N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline is CN(C)c1ccc(/N=c2\sc3ccccc3n2C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline?
The InChIKey is CFYDYDSEOZWOKG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17N3S/c1-18(2)13-10-8-12(9-11-13)17-16-19(3)14-6-4-5-7-15(14)20-16/h4-11H,1-3H3/b17-16-.
What are the key properties of N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline?
N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline has a molecular weight of 283.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]aniline is sourced from PubChem (CID 838386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).