N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide

C10H11N3OS — CID 91992761

IUPACN'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H11N3OS/c1-13(2)6-11-10-12-8-4-3-7(14)5-9(8)15-10/h3-6,14H,1-2H3
InChIKeyYFJJQIUNFRZYIL-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.22
Rot. Bonds2

About N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide

N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 91992761) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
PubChem CID91992761
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H11N3OS/c1-13(2)6-11-10-12-8-4-3-7(14)5-9(8)15-10/h3-6,14H,1-2H3
InChIKeyYFJJQIUNFRZYIL-UHFFFAOYSA-N
XLogP2.22
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
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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Related Compounds

N,N-dimethyl-N'-(5-nitro-1,3-benzothiazol-2-yl)methanimidamide
CID 121215620
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide
CID 2999844
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259
2-[(E)-(5,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,5-dimethylphenol
CID 135928987
N-(1,3-benzothiazol-2-yl)ethanimine
CID 1083282
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
5-(diethylamino)-2-[(E)-(5,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135928970
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427

Frequently Asked Questions

What is the IUPAC name of N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide (CID 91992761) is N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc2ccc(O)cc2s1.
What is the InChIKey of N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is YFJJQIUNFRZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13(2)6-11-10-12-8-4-3-7(14)5-9(8)15-10/h3-6,14H,1-2H3.
What are the key properties of N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide?
N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 221.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-hydroxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 91992761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).