N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide

C9H7FN4OS — CID 175760336

IUPACN-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cnc(F)nc2)cs1
InChIInChI=1S/C9H7FN4OS/c1-5(15)13-9-14-7(4-16-9)6-2-11-8(10)12-3-6/h2-4H,1H3,(H,13,14,15)
InChIKeyCPJVQBBUDWAWHQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.70
Rot. Bonds2

About N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 175760336) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID175760336
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC NameN-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cnc(F)nc2)cs1
InChIInChI=1S/C9H7FN4OS/c1-5(15)13-9-14-7(4-16-9)6-2-11-8(10)12-3-6/h2-4H,1H3,(H,13,14,15)
InChIKeyCPJVQBBUDWAWHQ-UHFFFAOYSA-N
XLogP1.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide (CID 175760336) is N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cnc(F)nc2)cs1.
What is the InChIKey of N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CPJVQBBUDWAWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c1-5(15)13-9-14-7(4-16-9)6-2-11-8(10)12-3-6/h2-4H,1H3,(H,13,14,15).
What are the key properties of N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175760336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).