4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine

C17H17NS — CID 170395321

IUPAC4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine
SMILESCC(C)C1=Nc2ccccc2C(c2ccccc2)S1
InChIInChI=1S/C17H17NS/c1-12(2)17-18-15-11-7-6-10-14(15)16(19-17)13-8-4-3-5-9-13/h3-12,16H,1-2H3
InChIKeySEVQQNOMWYNWRK-UHFFFAOYSA-N
MW267.40 g/mol
LogP5.21
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine

4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine (PubChem CID 170395321) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine
PubChem CID170395321
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine
SMILESCC(C)C1=Nc2ccccc2C(c2ccccc2)S1
InChIInChI=1S/C17H17NS/c1-12(2)17-18-15-11-7-6-10-14(15)16(19-17)13-8-4-3-5-9-13/h3-12,16H,1-2H3
InChIKeySEVQQNOMWYNWRK-UHFFFAOYSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine?
The IUPAC name of 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine (CID 170395321) is 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine?
The canonical SMILES for 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine is CC(C)C1=Nc2ccccc2C(c2ccccc2)S1.
What is the InChIKey of 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine?
The InChIKey is SEVQQNOMWYNWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-12(2)17-18-15-11-7-6-10-14(15)16(19-17)13-8-4-3-5-9-13/h3-12,16H,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine?
4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine has a molecular weight of 267.40 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine is sourced from PubChem (CID 170395321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).