1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

C26H23Cl2N7O2S — CID 90326664

IUPAC1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)n1
InChIInChI=1S/C26H23Cl2N7O2S/c27-19-5-4-18(15-20(19)28)35-9-8-34(26(35)36)17-3-1-2-16(14-17)23-22(21-6-7-30-24(29)31-21)32-25(38-23)33-10-12-37-13-11-33/h1-7,14-15H,8-13H2,(H2,29,30,31)
InChIKeyJSHRHXAUIQUBEA-UHFFFAOYSA-N
MW568.49 g/mol
LogP5.44
Rot. Bonds5

About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 90326664) has the molecular formula C26H23Cl2N7O2S and a molecular weight of 568.49 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
PubChem CID90326664
Molecular FormulaC26H23Cl2N7O2S
Molecular Weight568.49 g/mol
Exact Mass567.10
IUPAC Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)n1
InChIInChI=1S/C26H23Cl2N7O2S/c27-19-5-4-18(15-20(19)28)35-9-8-34(26(35)36)17-3-1-2-16(14-17)23-22(21-6-7-30-24(29)31-21)32-25(38-23)33-10-12-37-13-11-33/h1-7,14-15H,8-13H2,(H2,29,30,31)
InChIKeyJSHRHXAUIQUBEA-UHFFFAOYSA-N
XLogP5.44
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 90326664) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)n1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The InChIKey is JSHRHXAUIQUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N7O2S/c27-19-5-4-18(15-20(19)28)35-9-8-34(26(35)36)17-3-1-2-16(14-17)23-22(21-6-7-30-24(29)31-21)32-25(38-23)33-10-12-37-13-11-33/h1-7,14-15H,8-13H2,(H2,29,30,31).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 568.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 90326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).