N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C17H14N2S — CID 1350413

IUPACN-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C17H14N2S/c1-2-7-13(8-3-1)18-17-19-16-14-9-5-4-6-12(14)10-11-15(16)20-17/h1-9H,10-11H2,(H,18,19)
InChIKeyYBHAKSVDEJAJSA-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.65
Rot. Bonds2

About N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 1350413) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID1350413
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC NameN-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESc1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C17H14N2S/c1-2-7-13(8-3-1)18-17-19-16-14-9-5-4-6-12(14)10-11-15(16)20-17/h1-9H,10-11H2,(H,18,19)
InChIKeyYBHAKSVDEJAJSA-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94880
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CID 9814340
N-(naphthalen-1-yl)-4-neopentylthiazol-2-amine
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4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 692856
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
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CID 808687
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
Benzothiazol-2-yl-o-tolyl-amine
CID 2360617

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 1350413) is N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is c1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is YBHAKSVDEJAJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-2-7-13(8-3-1)18-17-19-16-14-9-5-4-6-12(14)10-11-15(16)20-17/h1-9H,10-11H2,(H,18,19).
What are the key properties of N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 1350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).