N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C23H23F3N6OS — CID 145104626

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(C2CN(c3cccc(-c4csc(NC5=NCCCN5)n4)n3)CCO2)cc1
InChIInChI=1S/C23H23F3N6OS/c24-23(25,26)16-7-5-15(6-8-16)19-13-32(11-12-33-19)20-4-1-3-17(29-20)18-14-34-22(30-18)31-21-27-9-2-10-28-21/h1,3-8,14,19H,2,9-13H2,(H2,27,28,30,31)
InChIKeyNGGMRCOFMUCKSK-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.56
Rot. Bonds4

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 145104626) has the molecular formula C23H23F3N6OS and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID145104626
Molecular FormulaC23H23F3N6OS
Molecular Weight488.54 g/mol
Exact Mass488.16
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(C2CN(c3cccc(-c4csc(NC5=NCCCN5)n4)n3)CCO2)cc1
InChIInChI=1S/C23H23F3N6OS/c24-23(25,26)16-7-5-15(6-8-16)19-13-32(11-12-33-19)20-4-1-3-17(29-20)18-14-34-22(30-18)31-21-27-9-2-10-28-21/h1,3-8,14,19H,2,9-13H2,(H2,27,28,30,31)
InChIKeyNGGMRCOFMUCKSK-UHFFFAOYSA-N
XLogP4.56
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 145104626) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(C2CN(c3cccc(-c4csc(NC5=NCCCN5)n4)n3)CCO2)cc1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is NGGMRCOFMUCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6OS/c24-23(25,26)16-7-5-15(6-8-16)19-13-32(11-12-33-19)20-4-1-3-17(29-20)18-14-34-22(30-18)31-21-27-9-2-10-28-21/h1,3-8,14,19H,2,9-13H2,(H2,27,28,30,31).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 488.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 145104626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).