2-(6-amino-1,3-benzothiazol-2-yl)guanidine

C8H9N5S — CID 130005649

IUPAC2-(6-amino-1,3-benzothiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C8H9N5S/c9-4-1-2-5-6(3-4)14-8(12-5)13-7(10)11/h1-3H,9H2,(H4,10,11,12,13)
InChIKeyXOAWSKFZCKZZLE-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.78
Rot. Bonds1

About 2-(6-amino-1,3-benzothiazol-2-yl)guanidine

2-(6-amino-1,3-benzothiazol-2-yl)guanidine (PubChem CID 130005649) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(6-amino-1,3-benzothiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-amino-1,3-benzothiazol-2-yl)guanidine
PubChem CID130005649
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-(6-amino-1,3-benzothiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C8H9N5S/c9-4-1-2-5-6(3-4)14-8(12-5)13-7(10)11/h1-3H,9H2,(H4,10,11,12,13)
InChIKeyXOAWSKFZCKZZLE-UHFFFAOYSA-N
XLogP0.78
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol
CID 40579547
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]guanidine
CID 11651818
2,2,2-trichloro-N'-(6-chloro-1,3-benzothiazol-2-yl)ethanimidamide
CID 174165572
2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine
CID 61369334
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine
CID 102044948
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
CID 82747618
5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
CID 114281764
N'-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dichlorobutanimidamide
CID 174165578

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1,3-benzothiazol-2-yl)guanidine?
The IUPAC name of 2-(6-amino-1,3-benzothiazol-2-yl)guanidine (CID 130005649) is 2-(6-amino-1,3-benzothiazol-2-yl)guanidine.
What is the SMILES notation for 2-(6-amino-1,3-benzothiazol-2-yl)guanidine?
The canonical SMILES for 2-(6-amino-1,3-benzothiazol-2-yl)guanidine is NC(N)=Nc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(6-amino-1,3-benzothiazol-2-yl)guanidine?
The InChIKey is XOAWSKFZCKZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-4-1-2-5-6(3-4)14-8(12-5)13-7(10)11/h1-3H,9H2,(H4,10,11,12,13).
What are the key properties of 2-(6-amino-1,3-benzothiazol-2-yl)guanidine?
2-(6-amino-1,3-benzothiazol-2-yl)guanidine has a molecular weight of 207.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1,3-benzothiazol-2-yl)guanidine is sourced from PubChem (CID 130005649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).