5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine

C19H13ClN4S — CID 134463832

IUPAC5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(N/N=C(\c3ccccc3)c3ccccn3)nc2c1
InChIInChI=1S/C19H13ClN4S/c20-14-9-10-17-16(12-14)22-19(25-17)24-23-18(13-6-2-1-3-7-13)15-8-4-5-11-21-15/h1-12H,(H,22,24)/b23-18+
InChIKeyGAXZVCMILVYVEU-PTGBLXJZSA-N
MW364.86 g/mol
LogP5.21
Rot. Bonds4

About 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine

5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine (PubChem CID 134463832) has the molecular formula C19H13ClN4S and a molecular weight of 364.86 g/mol. Its IUPAC name is 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
PubChem CID134463832
Molecular FormulaC19H13ClN4S
Molecular Weight364.86 g/mol
Exact Mass364.05
IUPAC Name5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(N/N=C(\c3ccccc3)c3ccccn3)nc2c1
InChIInChI=1S/C19H13ClN4S/c20-14-9-10-17-16(12-14)22-19(25-17)24-23-18(13-6-2-1-3-7-13)15-8-4-5-11-21-15/h1-12H,(H,22,24)/b23-18+
InChIKeyGAXZVCMILVYVEU-PTGBLXJZSA-N
XLogP5.21
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine (CID 134463832) is 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine is Clc1ccc2sc(N/N=C(\c3ccccc3)c3ccccn3)nc2c1.
What is the InChIKey of 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
The InChIKey is GAXZVCMILVYVEU-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H13ClN4S/c20-14-9-10-17-16(12-14)22-19(25-17)24-23-18(13-6-2-1-3-7-13)15-8-4-5-11-21-15/h1-12H,(H,22,24)/b23-18+.
What are the key properties of 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine?
5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine has a molecular weight of 364.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).