N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine

C16H13N3S — CID 16721071

IUPACN-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine
SMILESc1ccc(NC2=NCc3[nH]c4ccccc4c3S2)cc1
InChIInChI=1S/C16H13N3S/c1-2-6-11(7-3-1)18-16-17-10-14-15(20-16)12-8-4-5-9-13(12)19-14/h1-9,19H,10H2,(H,17,18)
InChIKeyPVZMQKWBGBLSIY-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.24
Rot. Bonds1

About N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine

N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine (PubChem CID 16721071) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine.

Molecular Properties

Compound NameN-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine
PubChem CID16721071
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC NameN-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine
SMILESc1ccc(NC2=NCc3[nH]c4ccccc4c3S2)cc1
InChIInChI=1S/C16H13N3S/c1-2-6-11(7-3-1)18-16-17-10-14-15(20-16)12-8-4-5-9-13(12)19-14/h1-9,19H,10H2,(H,17,18)
InChIKeyPVZMQKWBGBLSIY-UHFFFAOYSA-N
XLogP4.24
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine?
The IUPAC name of N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine (CID 16721071) is N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine.
What is the SMILES notation for N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine?
The canonical SMILES for N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine is c1ccc(NC2=NCc3[nH]c4ccccc4c3S2)cc1.
What is the InChIKey of N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine?
The InChIKey is PVZMQKWBGBLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-6-11(7-3-1)18-16-17-10-14-15(20-16)12-8-4-5-9-13(12)19-14/h1-9,19H,10H2,(H,17,18).
What are the key properties of N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine?
N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine has a molecular weight of 279.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5-dihydro-[1,3]thiazino[5,6-b]indol-2-amine is sourced from PubChem (CID 16721071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).