(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide

C13H12FN3O2S2 — CID 129367933

IUPAC(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nccs1)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H12FN3O2S2/c1-8(21-13-15-6-7-20-13)11(18)17-12(19)16-10-5-3-2-4-9(10)14/h2-8H,1H3,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyUYANTNLKPIJKEW-MRVPVSSYSA-N
MW325.39 g/mol
LogP3.11
Rot. Bonds4

About (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide

(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 129367933) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID129367933
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC Name(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nccs1)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H12FN3O2S2/c1-8(21-13-15-6-7-20-13)11(18)17-12(19)16-10-5-3-2-4-9(10)14/h2-8H,1H3,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyUYANTNLKPIJKEW-MRVPVSSYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 47365076
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 32709626
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2621017
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 61218915
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 41037714
N-(2-fluorophenyl)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42902744

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide (CID 129367933) is (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide is C[C@@H](Sc1nccs1)C(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is UYANTNLKPIJKEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c1-8(21-13-15-6-7-20-13)11(18)17-12(19)16-10-5-3-2-4-9(10)14/h2-8H,1H3,(H2,16,17,18,19)/t8-/m1/s1.
What are the key properties of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 325.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 129367933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).