N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide

C12H10ClFN2OS2 — CID 47365076

IUPACN-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nccs1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H10ClFN2OS2/c1-7(19-12-15-4-5-18-12)11(17)16-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,16,17)
InChIKeyDETWUOPBUCCAKW-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.05
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide

N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 47365076) has the molecular formula C12H10ClFN2OS2 and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID47365076
Molecular FormulaC12H10ClFN2OS2
Molecular Weight316.81 g/mol
Exact Mass315.99
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nccs1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H10ClFN2OS2/c1-7(19-12-15-4-5-18-12)11(17)16-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,16,17)
InChIKeyDETWUOPBUCCAKW-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7421035
N-(2-chloro-4-fluorophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60563813
N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 61218915
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 129367933
(2R)-N-(2-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2460676
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9272935
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2S)-N-(2-chloro-4-fluorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7426822
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935846
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide (CID 47365076) is N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide is CC(Sc1nccs1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is DETWUOPBUCCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS2/c1-7(19-12-15-4-5-18-12)11(17)16-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 316.81 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 47365076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).