N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide

C14H17N3S — CID 2999844

IUPACN,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide
SMILESCN(C)C=Nc1nc2ccc3c(c2s1)CCCC3
InChIInChI=1S/C14H17N3S/c1-17(2)9-15-14-16-12-8-7-10-5-3-4-6-11(10)13(12)18-14/h7-9H,3-6H2,1-2H3
InChIKeyAVOUJRWMHHYDNP-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.40
Rot. Bonds2

About N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide

N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide (PubChem CID 2999844) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide
PubChem CID2999844
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide
SMILESCN(C)C=Nc1nc2ccc3c(c2s1)CCCC3
InChIInChI=1S/C14H17N3S/c1-17(2)9-15-14-16-12-8-7-10-5-3-4-6-11(10)13(12)18-14/h7-9H,3-6H2,1-2H3
InChIKeyAVOUJRWMHHYDNP-UHFFFAOYSA-N
XLogP3.40
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide (CID 2999844) is N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide is CN(C)C=Nc1nc2ccc3c(c2s1)CCCC3.
What is the InChIKey of N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide?
The InChIKey is AVOUJRWMHHYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-17(2)9-15-14-16-12-8-7-10-5-3-4-6-11(10)13(12)18-14/h7-9H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide?
N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide has a molecular weight of 259.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-yl)methanimidamide is sourced from PubChem (CID 2999844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).