(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C15H19N3O2S2 — CID 94627097

IUPAC(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)[C@H](C)Sc1nncs1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)20-12-5-6-13(10(3)7-12)17-14(19)11(4)22-15-18-16-8-21-15/h5-9,11H,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyZCVHKTVHEAQWTR-NSHDSACASA-N
MW337.47 g/mol
LogP3.75
Rot. Bonds6

About (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 94627097) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID94627097
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)[C@H](C)Sc1nncs1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)20-12-5-6-13(10(3)7-12)17-14(19)11(4)22-15-18-16-8-21-15/h5-9,11H,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyZCVHKTVHEAQWTR-NSHDSACASA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935846
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935663
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
(2R)-N-(2-chloro-5-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532130
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 94627097) is (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is Cc1cc(OC(C)C)ccc1NC(=O)[C@H](C)Sc1nncs1.
What is the InChIKey of (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is ZCVHKTVHEAQWTR-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9(2)20-12-5-6-13(10(3)7-12)17-14(19)11(4)22-15-18-16-8-21-15/h5-9,11H,1-4H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 94627097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).