N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane

C15H21FN4S — CID 145104729

IUPACN-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane
SMILESCC.Fc1ccccc1-c1csc(NC2NCCCN2)n1
InChIInChI=1S/C13H15FN4S.C2H6/c14-10-5-2-1-4-9(10)11-8-19-13(17-11)18-12-15-6-3-7-16-12;1-2/h1-2,4-5,8,12,15-16H,3,6-7H2,(H,17,18);1-2H3
InChIKeyIVNOMHWNVBILKD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.25
Rot. Bonds3

About N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane

N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane (PubChem CID 145104729) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane
PubChem CID145104729
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC NameN-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane
SMILESCC.Fc1ccccc1-c1csc(NC2NCCCN2)n1
InChIInChI=1S/C13H15FN4S.C2H6/c14-10-5-2-1-4-9(10)11-8-19-13(17-11)18-12-15-6-3-7-16-12;1-2/h1-2,4-5,8,12,15-16H,3,6-7H2,(H,17,18);1-2H3
InChIKeyIVNOMHWNVBILKD-UHFFFAOYSA-N
XLogP3.25
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane (CID 145104729) is N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane is CC.Fc1ccccc1-c1csc(NC2NCCCN2)n1.
What is the InChIKey of N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane?
The InChIKey is IVNOMHWNVBILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S.C2H6/c14-10-5-2-1-4-9(10)11-8-19-13(17-11)18-12-15-6-3-7-16-12;1-2/h1-2,4-5,8,12,15-16H,3,6-7H2,(H,17,18);1-2H3.
What are the key properties of N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane?
N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane has a molecular weight of 308.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diazinan-2-yl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 145104729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).