N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C19H14FN5O3S2 — CID 51354021

IUPACN-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(F)cc4)n3)cc2s1
InChIInChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-7-2-12(10-17(16)29-19)15-8-9-21-18(23-15)25-30(27,28)14-5-3-13(20)4-6-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyIIUAXNISMZXZFE-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.65
Rot. Bonds5

About N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 51354021) has the molecular formula C19H14FN5O3S2 and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID51354021
Molecular FormulaC19H14FN5O3S2
Molecular Weight443.49 g/mol
Exact Mass443.05
IUPAC NameN-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(F)cc4)n3)cc2s1
InChIInChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-7-2-12(10-17(16)29-19)15-8-9-21-18(23-15)25-30(27,28)14-5-3-13(20)4-6-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyIIUAXNISMZXZFE-UHFFFAOYSA-N
XLogP3.65
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 51354021) is N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(F)cc4)n3)cc2s1.
What is the InChIKey of N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is IIUAXNISMZXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-7-2-12(10-17(16)29-19)15-8-9-21-18(23-15)25-30(27,28)14-5-3-13(20)4-6-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26).
What are the key properties of N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 443.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(4-fluorophenyl)sulfonylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 51354021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).