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

C26H24ClFN6OS — CID 90326636

IUPAC1-[3-[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(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)s1
InChIInChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(18-11-12-30-24(29)31-18)22(36-23)17-5-4-6-19(20(17)28)34-14-13-33(25(34)35)16-9-7-15(27)8-10-16/h4-12H,13-14H2,1-3H3,(H2,29,30,31)
InChIKeyRLORPZAIUIVNQU-UHFFFAOYSA-N
MW523.04 g/mol
LogP6.39
Rot. Bonds4

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

1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one (PubChem CID 90326636) has the molecular formula C26H24ClFN6OS and a molecular weight of 523.04 g/mol. Its IUPAC name is 1-[3-[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-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one
PubChem CID90326636
Molecular FormulaC26H24ClFN6OS
Molecular Weight523.04 g/mol
Exact Mass522.14
IUPAC Name1-[3-[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(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)s1
InChIInChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(18-11-12-30-24(29)31-18)22(36-23)17-5-4-6-19(20(17)28)34-14-13-33(25(34)35)16-9-7-15(27)8-10-16/h4-12H,13-14H2,1-3H3,(H2,29,30,31)
InChIKeyRLORPZAIUIVNQU-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-[3-[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-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one (CID 90326636) is 1-[3-[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-[3-[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-[3-[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(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)s1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
The InChIKey is RLORPZAIUIVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6OS/c1-26(2,3)23-32-21(18-11-12-30-24(29)31-18)22(36-23)17-5-4-6-19(20(17)28)34-14-13-33(25(34)35)16-9-7-15(27)8-10-16/h4-12H,13-14H2,1-3H3,(H2,29,30,31).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one?
1-[3-[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-[3-[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 90326636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).