(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride

C17H20ClNOS — CID 24835394

IUPAC(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride
SMILESCCN1CC(C(O)c2ccccc2)Sc2ccccc21.Cl
InChIInChI=1S/C17H19NOS.ClH/c1-2-18-12-16(17(19)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18;/h3-11,16-17,19H,2,12H2,1H3;1H
InChIKeyJTGSYKMOMHRAAL-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.14
Rot. Bonds3

About (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride

(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride (PubChem CID 24835394) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride.

Molecular Properties

Compound Name(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride
PubChem CID24835394
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride
SMILESCCN1CC(C(O)c2ccccc2)Sc2ccccc21.Cl
InChIInChI=1S/C17H19NOS.ClH/c1-2-18-12-16(17(19)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18;/h3-11,16-17,19H,2,12H2,1H3;1H
InChIKeyJTGSYKMOMHRAAL-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(10H-phenothiazin-2-yl)ethanol
CID 350926
4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
CID 53388789
4-methyl-2-phenyl-3H-1,4-benzothiazin-2-ol
CID 145951676
2-(1-hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
CID 198245
Phenothiazine-2-methanol, 10-(3-(dimethylamino)propyl)-alpha-(morpholinomethyl)-
CID 202605
[10-[3-(Dimethylamino)propyl]phenothiazin-2-yl]methanol
CID 44286084
4-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-1,4-benzothiazin-2-ol
CID 145958829
10H-phenothiazine-3-methanol, 10-methyl-
CID 638533
1-[10-[3-(Dimethylamino)propyl]phenothiazin-2-yl]ethanol
CID 525233
(10-ethyl-10H-phenothiazin-4-yl)methanol
CID 638528
1-(10-Ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol
CID 10495423
(N-hexylphenothiazine-3-yl)methanol
CID 44239570

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride?
The IUPAC name of (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride (CID 24835394) is (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride.
What is the SMILES notation for (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride?
The canonical SMILES for (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride is CCN1CC(C(O)c2ccccc2)Sc2ccccc21.Cl.
What is the InChIKey of (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride?
The InChIKey is JTGSYKMOMHRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS.ClH/c1-2-18-12-16(17(19)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18;/h3-11,16-17,19H,2,12H2,1H3;1H.
What are the key properties of (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride?
(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol;hydrochloride is sourced from PubChem (CID 24835394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).