N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C13H13FN2OS2 — CID 51235539

IUPACN-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2OS2/c1-8-7-18-13(15-8)19-9(2)12(17)16-11-5-3-4-10(14)6-11/h3-7,9H,1-2H3,(H,16,17)
InChIKeyKMTLDUQBYXFICR-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.71
Rot. Bonds4

About N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 51235539) has the molecular formula C13H13FN2OS2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID51235539
Molecular FormulaC13H13FN2OS2
Molecular Weight296.39 g/mol
Exact Mass296.05
IUPAC NameN-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2OS2/c1-8-7-18-13(15-8)19-9(2)12(17)16-11-5-3-4-10(14)6-11/h3-7,9H,1-2H3,(H,16,17)
InChIKeyKMTLDUQBYXFICR-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
N-(3-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43187503
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622493
(2S)-N-(3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890282
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
(2S)-N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936643
N-(3-amino-4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43104704
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622345
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936694
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 84876363
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 51235539) is N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(SC(C)C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KMTLDUQBYXFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS2/c1-8-7-18-13(15-8)19-9(2)12(17)16-11-5-3-4-10(14)6-11/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 296.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51235539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).