4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine

C16H17N3S — CID 17338742

IUPAC4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(NC3=NCCCS3)cc2)cc1
InChIInChI=1S/C16H17N3S/c1-2-5-13(6-3-1)18-14-7-9-15(10-8-14)19-16-17-11-4-12-20-16/h1-3,5-10,18H,4,11-12H2,(H,17,19)
InChIKeyNZZZCPYSFRTRJX-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.34
Rot. Bonds3

About 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine

4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 17338742) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID17338742
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(NC3=NCCCS3)cc2)cc1
InChIInChI=1S/C16H17N3S/c1-2-5-13(6-3-1)18-14-7-9-15(10-8-14)19-16-17-11-4-12-20-16/h1-3,5-10,18H,4,11-12H2,(H,17,19)
InChIKeyNZZZCPYSFRTRJX-UHFFFAOYSA-N
XLogP4.34
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine (CID 17338742) is 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine is c1ccc(Nc2ccc(NC3=NCCCS3)cc2)cc1.
What is the InChIKey of 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is NZZZCPYSFRTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-5-13(6-3-1)18-14-7-9-15(10-8-14)19-16-17-11-4-12-20-16/h1-3,5-10,18H,4,11-12H2,(H,17,19).
What are the key properties of 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine?
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 283.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 17338742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).