1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one

C26H24ClFN6OS — CID 90326648

IUPAC1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one
SMILESCC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(Cl)cc4)C3=O)c2)s1
InChIInChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(19-10-11-30-24(29)31-19)22(36-23)15-4-9-18(28)20(14-15)34-13-12-33(25(34)35)17-7-5-16(27)6-8-17/h4-11,14H,12-13H2,1-3H3,(H2,29,30,31)
InChIKeyXDTSVUDZJMRVDX-UHFFFAOYSA-N
MW523.04 g/mol
LogP6.39
Rot. Bonds4

About 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one

1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one (PubChem CID 90326648) has the molecular formula C26H24ClFN6OS and a molecular weight of 523.04 g/mol. Its IUPAC name is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one
PubChem CID90326648
Molecular FormulaC26H24ClFN6OS
Molecular Weight523.04 g/mol
Exact Mass522.14
IUPAC Name1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one
SMILESCC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(Cl)cc4)C3=O)c2)s1
InChIInChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(19-10-11-30-24(29)31-19)22(36-23)15-4-9-18(28)20(14-15)34-13-12-33(25(34)35)17-7-5-16(27)6-8-17/h4-11,14H,12-13H2,1-3H3,(H2,29,30,31)
InChIKeyXDTSVUDZJMRVDX-UHFFFAOYSA-N
XLogP6.39
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.04
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one (CID 90326648) is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one is CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2ccc(F)c(N3CCN(c4ccc(Cl)cc4)C3=O)c2)s1.
What is the InChIKey of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
The InChIKey is XDTSVUDZJMRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(19-10-11-30-24(29)31-19)22(36-23)15-4-9-18(28)20(14-15)34-13-12-33(25(34)35)17-7-5-16(27)6-8-17/h4-11,14H,12-13H2,1-3H3,(H2,29,30,31).
What are the key properties of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one has a molecular weight of 523.04 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 90326648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).