(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide

C12H13N3O2S2 — CID 94210728

IUPAC(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
SMILESCO[C@@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1
InChIInChI=1S/C12H13N3O2S2/c1-8(17-2)11(16)14-9-3-5-10(6-4-9)19-12-15-13-7-18-12/h3-8H,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyJFWLTLMSAGGOHD-QMMMGPOBSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide

(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide (PubChem CID 94210728) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
PubChem CID94210728
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
SMILESCO[C@@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1
InChIInChI=1S/C12H13N3O2S2/c1-8(17-2)11(16)14-9-3-5-10(6-4-9)19-12-15-13-7-18-12/h3-8H,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyJFWLTLMSAGGOHD-QMMMGPOBSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide
CID 94668314
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63813408
3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 60549520
2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 115588518
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
CID 17442157
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119308416
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 119757430
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The IUPAC name of (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide (CID 94210728) is (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide is CO[C@@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1.
What is the InChIKey of (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The InChIKey is JFWLTLMSAGGOHD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-8(17-2)11(16)14-9-3-5-10(6-4-9)19-12-15-13-7-18-12/h3-8H,1-2H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide has a molecular weight of 295.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 94210728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).