(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

C17H17N3O2S — CID 6897805

IUPAC(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccc(/C=N\N=c2/sc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C17H17N3O2S/c1-20-14-6-4-5-7-16(14)23-17(20)19-18-11-12-8-9-13(21-2)10-15(12)22-3/h4-11H,1-3H3/b18-11-,19-17-
InChIKeyLYZZFMVUZAFKAK-JRHBGCFLSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds4

About (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 6897805) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
PubChem CID6897805
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccc(/C=N\N=c2/sc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C17H17N3O2S/c1-20-14-6-4-5-7-16(14)23-17(20)19-18-11-12-8-9-13(21-2)10-15(12)22-3/h4-11H,1-3H3/b18-11-,19-17-
InChIKeyLYZZFMVUZAFKAK-JRHBGCFLSA-N
XLogP3.19
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
CID 6898370
4-methoxy-2-[(Z)-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136680668
2-[3-methoxy-4-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 121304235
2-methoxy-6-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135852448
2-methoxy-6-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 2370611
2,3-dimethoxy-6-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzoate
CID 8973290
4-bromo-2-[(E)-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135601226
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
CID 1345587
2-[2-methoxy-4-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethanol
CID 50990681
2-[(Z)-[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-methoxyphenol
CID 136690376
2-[(E)-[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-methoxyphenol
CID 135618876
2,6-dibromo-4-[(E)-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135615987

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine (CID 6897805) is (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine is COc1ccc(/C=N\N=c2/sc3ccccc3n2C)c(OC)c1.
What is the InChIKey of (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is LYZZFMVUZAFKAK-JRHBGCFLSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-14-6-4-5-7-16(14)23-17(20)19-18-11-12-8-9-13(21-2)10-15(12)22-3/h4-11H,1-3H3/b18-11-,19-17-.
What are the key properties of (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine?
(Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine has a molecular weight of 327.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 6897805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).