N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide

C14H10Cl2N6S — CID 155144509

IUPACN'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide
SMILESN/C(=N\C(N)=N\c1nc2ccccc2s1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N6S/c15-7-5-8(16)11(19-6-7)12(17)21-13(18)22-14-20-9-3-1-2-4-10(9)23-14/h1-6H,(H4,17,18,20,21,22)
InChIKeyWIOGPYLDRAUJRO-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.35
Rot. Bonds2

About N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide

N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide (PubChem CID 155144509) has the molecular formula C14H10Cl2N6S and a molecular weight of 365.25 g/mol. Its IUPAC name is N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide
PubChem CID155144509
Molecular FormulaC14H10Cl2N6S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC NameN'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide
SMILESN/C(=N\C(N)=N\c1nc2ccccc2s1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N6S/c15-7-5-8(16)11(19-6-7)12(17)21-13(18)22-14-20-9-3-1-2-4-10(9)23-14/h1-6H,(H4,17,18,20,21,22)
InChIKeyWIOGPYLDRAUJRO-UHFFFAOYSA-N
XLogP3.35
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide?
The IUPAC name of N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide (CID 155144509) is N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide?
The canonical SMILES for N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide is N/C(=N\C(N)=N\c1nc2ccccc2s1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide?
The InChIKey is WIOGPYLDRAUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6S/c15-7-5-8(16)11(19-6-7)12(17)21-13(18)22-14-20-9-3-1-2-4-10(9)23-14/h1-6H,(H4,17,18,20,21,22).
What are the key properties of N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide?
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide has a molecular weight of 365.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide is sourced from PubChem (CID 155144509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).