(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C15H18FN3O2S2 — CID 52508929

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(OC(C)C)s1
InChIInChI=1S/C15H18FN3O2S2/c1-8(2)21-14-18-19-15(23-14)22-10(4)13(20)17-12-7-11(16)6-5-9(12)3/h5-8,10H,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyLAQXEBQZPVUIJT-JTQLQIEISA-N
MW355.46 g/mol
LogP3.89
Rot. Bonds6

About (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 52508929) has the molecular formula C15H18FN3O2S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID52508929
Molecular FormulaC15H18FN3O2S2
Molecular Weight355.46 g/mol
Exact Mass355.08
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(OC(C)C)s1
InChIInChI=1S/C15H18FN3O2S2/c1-8(2)21-14-18-19-15(23-14)22-10(4)13(20)17-12-7-11(16)6-5-9(12)3/h5-8,10H,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyLAQXEBQZPVUIJT-JTQLQIEISA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2,5-difluorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888578
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24519534
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 55988248
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 96566270
(2S)-N-(3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890282
(2S)-N-(3-fluoro-4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888600
N-(2,5-dimethylphenyl)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46624646
N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51096546
(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972288
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 52508929) is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(OC(C)C)s1.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is LAQXEBQZPVUIJT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN3O2S2/c1-8(2)21-14-18-19-15(23-14)22-10(4)13(20)17-12-7-11(16)6-5-9(12)3/h5-8,10H,1-4H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 52508929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).