(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide

C15H20N4OS2 — CID 40668789

IUPAC(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESCNc1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS2/c1-10(12-7-5-4-6-8-12)9-17-13(20)11(2)21-15-19-18-14(16-3)22-15/h4-8,10-11H,9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11-/m0/s1
InChIKeyXJZBKCTVBAJLNT-QWRGUYRKSA-N
MW336.49 g/mol
LogP2.98
Rot. Bonds7

About (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide

(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 40668789) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID40668789
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESCNc1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N4OS2/c1-10(12-7-5-4-6-8-12)9-17-13(20)11(2)21-15-19-18-14(16-3)22-15/h4-8,10-11H,9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11-/m0/s1
InChIKeyXJZBKCTVBAJLNT-QWRGUYRKSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide with MolForge

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Related Compounds

N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51210035
2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42885782
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
N-benzyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18083275
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
(2S)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9310380
(2S)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 39964361
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)acetamide
CID 18101345
N-benzyl-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51280035
(2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 2473670
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide (CID 40668789) is (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide is CNc1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)s1.
What is the InChIKey of (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is XJZBKCTVBAJLNT-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-10(12-7-5-4-6-8-12)9-17-13(20)11(2)21-15-19-18-14(16-3)22-15/h4-8,10-11H,9H2,1-3H3,(H,16,18)(H,17,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide?
(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 336.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 40668789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).