4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine

C14H15BrN2S — CID 4977706

IUPAC4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
SMILESNC1=NC2=C(CCCC2)C(c2ccc(Br)cc2)S1
InChIInChI=1S/C14H15BrN2S/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h5-8,13H,1-4H2,(H2,16,17)
InChIKeyJGCJEAQNDBIFQH-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.38
Rot. Bonds1

About 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine

4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 4977706) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
PubChem CID4977706
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
SMILESNC1=NC2=C(CCCC2)C(c2ccc(Br)cc2)S1
InChIInChI=1S/C14H15BrN2S/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h5-8,13H,1-4H2,(H2,16,17)
InChIKeyJGCJEAQNDBIFQH-UHFFFAOYSA-N
XLogP4.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-phenyl-5,6,7,8(4H)-tetrahydro-3,1-benzothiazine
CID 618472
6-(4-Bromophenyl)-4-phenyl-6h-1,3-thiazine-2-amine
CID 169488899
6-(3-Bromophenyl)-4-phenyl-6h-1,3-thiazine-2-amine
CID 169488900
4-[(4-Bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54492878
4-(3-Bromo-phenyl)-4-methyl-5,6-dihydro-4H-[1,3]thiazin-2-ylamine
CID 57627869
(4S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59130275
6-(3-Bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
CID 67025318
4-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 89932636
(4S)-4-[(1S,2S)-2-(3-bromophenyl)-3-methylidenecyclopropyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 145699918
4-(4-Bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 172361471
4-(4-bromophenyl)-6H-1,3-thiazin-2-amine
CID 175695708
(4S)-4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine
CID 1204737

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine (CID 4977706) is 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine is NC1=NC2=C(CCCC2)C(c2ccc(Br)cc2)S1.
What is the InChIKey of 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is JGCJEAQNDBIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(16)18-13/h5-8,13H,1-4H2,(H2,16,17).
What are the key properties of 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine?
4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 323.26 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 4977706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).