(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C16H14ClFN4O2S2 — CID 7810492

IUPAC(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cs1
InChIInChI=1S/C16H14ClFN4O2S2/c1-8(15(23)20-13-4-3-10(18)5-12(13)17)26-16-22-21-14(24-16)6-11-7-25-9(2)19-11/h3-5,7-8H,6H2,1-2H3,(H,20,23)/t8-/m1/s1
InChIKeyWXCJLXBIDCOHTL-MRVPVSSYSA-N
MW412.90 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7810492) has the molecular formula C16H14ClFN4O2S2 and a molecular weight of 412.90 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7810492
Molecular FormulaC16H14ClFN4O2S2
Molecular Weight412.90 g/mol
Exact Mass412.02
IUPAC Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cs1
InChIInChI=1S/C16H14ClFN4O2S2/c1-8(15(23)20-13-4-3-10(18)5-12(13)17)26-16-22-21-14(24-16)6-11-7-25-9(2)19-11/h3-5,7-8H,6H2,1-2H3,(H,20,23)/t8-/m1/s1
InChIKeyWXCJLXBIDCOHTL-MRVPVSSYSA-N
XLogP4.34
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42896417
(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 7994650
(2S)-N-ethyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8600832
(2R)-N-cyclopropyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810568
(2S)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8888171
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7794608
2-[bis(4-fluorophenyl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 71905203
N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112777666
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 55516623
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9272935
N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17478774
N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 47365076

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7810492) is (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cs1.
What is the InChIKey of (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is WXCJLXBIDCOHTL-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2S2/c1-8(15(23)20-13-4-3-10(18)5-12(13)17)26-16-22-21-14(24-16)6-11-7-25-9(2)19-11/h3-5,7-8H,6H2,1-2H3,(H,20,23)/t8-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 412.90 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7810492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).