N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H18FN3S — CID 17338529

IUPACN-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cccc(CN(Cc2cccnc2)C2=NCCCS2)c1
InChIInChI=1S/C17H18FN3S/c18-16-6-1-4-14(10-16)12-21(17-20-8-3-9-22-17)13-15-5-2-7-19-11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKeyOZCRVZRRCNCSGL-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.72
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338529) has the molecular formula C17H18FN3S and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338529
Molecular FormulaC17H18FN3S
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cccc(CN(Cc2cccnc2)C2=NCCCS2)c1
InChIInChI=1S/C17H18FN3S/c18-16-6-1-4-14(10-16)12-21(17-20-8-3-9-22-17)13-15-5-2-7-19-11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKeyOZCRVZRRCNCSGL-UHFFFAOYSA-N
XLogP3.72
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338529) is N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1cccc(CN(Cc2cccnc2)C2=NCCCS2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OZCRVZRRCNCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3S/c18-16-6-1-4-14(10-16)12-21(17-20-8-3-9-22-17)13-15-5-2-7-19-11-15/h1-2,4-7,10-11H,3,8-9,12-13H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 315.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).