4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine

C14H16N2S2 — CID 55237866

IUPAC4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(CCc1cccs1)CCS2
InChIInChI=1S/C14H16N2S2/c15-11-3-4-14-13(10-11)16(7-9-18-14)6-5-12-2-1-8-17-12/h1-4,8,10H,5-7,9,15H2
InChIKeyIDEMQFOTNMDMSB-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds3

About 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine

4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 55237866) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID55237866
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(CCc1cccs1)CCS2
InChIInChI=1S/C14H16N2S2/c15-11-3-4-14-13(10-11)16(7-9-18-14)6-5-12-2-1-8-17-12/h1-4,8,10H,5-7,9,15H2
InChIKeyIDEMQFOTNMDMSB-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-octyl-2,3-dihydro-1,4-benzothiazin-6-amine
CID 63533513
4-(2-ethylsulfonylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
CID 54905258
4-[(2-bromophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 54905540
4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 65162674
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone
CID 54905303
2-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl-ethylcarbamic acid
CID 66704577
4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61495698
4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 62197019
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61481917
4-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 103038305
4-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 104798338
7-amino-4-(2-thiophen-2-ylethyl)-1,4-benzoxazin-3-one
CID 63773986

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine (CID 55237866) is 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(CCc1cccs1)CCS2.
What is the InChIKey of 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is IDEMQFOTNMDMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c15-11-3-4-14-13(10-11)16(7-9-18-14)6-5-12-2-1-8-17-12/h1-4,8,10H,5-7,9,15H2.
What are the key properties of 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine?
4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 55237866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).