N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide

C12H10FN3OS — CID 6489026

IUPACN-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C12H10FN3OS/c1-18-12-14-6-8(7-15-12)11(17)16-10-4-2-3-9(13)5-10/h2-7H,1H3,(H,16,17)
InChIKeyDCHBXUJJKUUGJK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.59
Rot. Bonds3

About N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide

N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 6489026) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID6489026
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC NameN-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C12H10FN3OS/c1-18-12-14-6-8(7-15-12)11(17)16-10-4-2-3-9(13)5-10/h2-7H,1H3,(H,16,17)
InChIKeyDCHBXUJJKUUGJK-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 6489026) is N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DCHBXUJJKUUGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-18-12-14-6-8(7-15-12)11(17)16-10-4-2-3-9(13)5-10/h2-7H,1H3,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 6489026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).