2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide

C24H23FN6O3S2 — CID 67312312

IUPAC2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide
SMILESCC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NC(=O)CN)n2)s1
InChIInChI=1S/C24H23FN6O3S2/c1-14(2)23-30-21(22(35-23)19-9-10-27-24(28-19)29-20(32)13-26)15-5-3-7-17(11-15)31-36(33,34)18-8-4-6-16(25)12-18/h3-12,14,31H,13,26H2,1-2H3,(H,27,28,29,32)
InChIKeyXEHINAZJWXJLPA-UHFFFAOYSA-N
MW526.62 g/mol
LogP4.23
Rot. Bonds8

About 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide

2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide (PubChem CID 67312312) has the molecular formula C24H23FN6O3S2 and a molecular weight of 526.62 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide
PubChem CID67312312
Molecular FormulaC24H23FN6O3S2
Molecular Weight526.62 g/mol
Exact Mass526.13
IUPAC Name2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide
SMILESCC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NC(=O)CN)n2)s1
InChIInChI=1S/C24H23FN6O3S2/c1-14(2)23-30-21(22(35-23)19-9-10-27-24(28-19)29-20(32)13-26)15-5-3-7-17(11-15)31-36(33,34)18-8-4-6-16(25)12-18/h3-12,14,31H,13,26H2,1-2H3,(H,27,28,29,32)
InChIKeyXEHINAZJWXJLPA-UHFFFAOYSA-N
XLogP4.23
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide (CID 67312312) is 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide is CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NC(=O)CN)n2)s1.
What is the InChIKey of 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide?
The InChIKey is XEHINAZJWXJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3S2/c1-14(2)23-30-21(22(35-23)19-9-10-27-24(28-19)29-20(32)13-26)15-5-3-7-17(11-15)31-36(33,34)18-8-4-6-16(25)12-18/h3-12,14,31H,13,26H2,1-2H3,(H,27,28,29,32).
What are the key properties of 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide?
2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide has a molecular weight of 526.62 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 67312312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).