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

C18H15F2N5S — CID 145104153

IUPAC4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(F)c(-c2cccc(-c3csc(NC4=NCCCN4)n3)n2)c1
InChIInChI=1S/C18H15F2N5S/c19-11-5-6-13(20)12(9-11)14-3-1-4-15(23-14)16-10-26-18(24-16)25-17-21-7-2-8-22-17/h1,3-6,9-10H,2,7-8H2,(H2,21,22,24,25)
InChIKeyOIEXFELTFKGVKO-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.91
Rot. Bonds3

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

4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104153) has the molecular formula C18H15F2N5S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104153
Molecular FormulaC18H15F2N5S
Molecular Weight371.42 g/mol
Exact Mass371.10
IUPAC Name4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(F)c(-c2cccc(-c3csc(NC4=NCCCN4)n3)n2)c1
InChIInChI=1S/C18H15F2N5S/c19-11-5-6-13(20)12(9-11)14-3-1-4-15(23-14)16-10-26-18(24-16)25-17-21-7-2-8-22-17/h1,3-6,9-10H,2,7-8H2,(H2,21,22,24,25)
InChIKeyOIEXFELTFKGVKO-UHFFFAOYSA-N
XLogP3.91
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104153) is 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Fc1ccc(F)c(-c2cccc(-c3csc(NC4=NCCCN4)n3)n2)c1.
What is the InChIKey of 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is OIEXFELTFKGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5S/c19-11-5-6-13(20)12(9-11)14-3-1-4-15(23-14)16-10-26-18(24-16)25-17-21-7-2-8-22-17/h1,3-6,9-10H,2,7-8H2,(H2,21,22,24,25).
What are the key properties of 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 371.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).