2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine

C18H22N2S — CID 91465268

IUPAC2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
SMILESC=CC1=C(C=C)N(CCN2CCCC2)c2ccccc2S1
InChIInChI=1S/C18H22N2S/c1-3-15-17(4-2)21-18-10-6-5-9-16(18)20(15)14-13-19-11-7-8-12-19/h3-6,9-10H,1-2,7-8,11-14H2
InChIKeyRPPQQKKYPQFJIM-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.28
Rot. Bonds5

About 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine

2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine (PubChem CID 91465268) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
PubChem CID91465268
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
SMILESC=CC1=C(C=C)N(CCN2CCCC2)c2ccccc2S1
InChIInChI=1S/C18H22N2S/c1-3-15-17(4-2)21-18-10-6-5-9-16(18)20(15)14-13-19-11-7-8-12-19/h3-6,9-10H,1-2,7-8,11-14H2
InChIKeyRPPQQKKYPQFJIM-UHFFFAOYSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(ethenyl)-4-(3-methylsulfinylpropyl)-1,4-benzothiazine
CID 169247927
3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
CID 142894617
2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
CID 143481394
3-chloro-10-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]benzothiazine
CID 110175027
10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
CID 15882871
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
9-(2-pyrrolidin-1-ylethyl)-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 46702209
1-(4-phenothiazin-10-ylbutyl)piperidine-4-carboxylic acid
CID 50852383
3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
CID 171358116
(3R)-1-[2-(2-phenothiazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 24842634
10-[2-(3-ethenylphenyl)ethyl]phenothiazine
CID 90842079

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine?
The IUPAC name of 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine (CID 91465268) is 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine.
What is the SMILES notation for 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine?
The canonical SMILES for 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine is C=CC1=C(C=C)N(CCN2CCCC2)c2ccccc2S1.
What is the InChIKey of 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine?
The InChIKey is RPPQQKKYPQFJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-3-15-17(4-2)21-18-10-6-5-9-16(18)20(15)14-13-19-11-7-8-12-19/h3-6,9-10H,1-2,7-8,11-14H2.
What are the key properties of 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine?
2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine has a molecular weight of 298.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine is sourced from PubChem (CID 91465268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).