4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine

C14H16N2S — CID 618472

IUPAC4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
SMILESNC1=NC2=C(CCCC2)C(c2ccccc2)S1
InChIInChI=1S/C14H16N2S/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16)
InChIKeyAXQYDGZBWLPMPS-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.62
Rot. Bonds1

About 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine

4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 618472) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
PubChem CID618472
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
SMILESNC1=NC2=C(CCCC2)C(c2ccccc2)S1
InChIInChI=1S/C14H16N2S/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16)
InChIKeyAXQYDGZBWLPMPS-UHFFFAOYSA-N
XLogP3.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
4-(4-methylphenyl)-6-phenyl-3H-1,3-thiazin-2-imine
CID 4626435
2-Acetamido-4-phenyl-5,6,7,8(4H)-tetrahydro-3,1-benzothiazine
CID 625402
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride
CID 44520755
5-(4-Fluorophenyl)-7,7a-dihydro-1,3-benzothiazol-2-amine
CID 71016298
2-Thiazolamine, 4,5-dihydro-4-methyl-5-phenyl-
CID 13234259
5-Phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 13402118
8-Benzylidene-6-t-butyl-4-phenyl-5,6,7,8-tetrahydro-1hbenzo[d][1,3]thiazin-2(4h)-imine
CID 162787904
(6S)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
CID 1268734
(6R)-6-(4-fluorophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
CID 1268735
(6R)-4-(4-fluorophenyl)-6-phenyl-6H-1,3-thiazin-2-amine
CID 1274601

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine (CID 618472) is 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine is NC1=NC2=C(CCCC2)C(c2ccccc2)S1.
What is the InChIKey of 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is AXQYDGZBWLPMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16).
What are the key properties of 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 618472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).