2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide

C18H23N3O2S2 — CID 46683509

IUPAC2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
SMILESCc1nc(SC(C)C(=O)NCC(C)c2ccccc2)sc1CC(N)=O
InChIInChI=1S/C18H23N3O2S2/c1-11(14-7-5-4-6-8-14)10-20-17(23)13(3)24-18-21-12(2)15(25-18)9-16(19)22/h4-8,11,13H,9-10H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZAQKYYKRRUYFNY-UHFFFAOYSA-N
MW377.54 g/mol
LogP2.88
Rot. Bonds8

About 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide

2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide (PubChem CID 46683509) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
PubChem CID46683509
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
SMILESCc1nc(SC(C)C(=O)NCC(C)c2ccccc2)sc1CC(N)=O
InChIInChI=1S/C18H23N3O2S2/c1-11(14-7-5-4-6-8-14)10-20-17(23)13(3)24-18-21-12(2)15(25-18)9-16(19)22/h4-8,11,13H,9-10H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZAQKYYKRRUYFNY-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(3-methylphenyl)propanamide
CID 46683483
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide
CID 40668789
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42885782
N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51210035
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589923
2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47068561
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 24589907
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 24589910

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide (CID 46683509) is 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide is Cc1nc(SC(C)C(=O)NCC(C)c2ccccc2)sc1CC(N)=O.
What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide?
The InChIKey is ZAQKYYKRRUYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-11(14-7-5-4-6-8-14)10-20-17(23)13(3)24-18-21-12(2)15(25-18)9-16(19)22/h4-8,11,13H,9-10H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide?
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide has a molecular weight of 377.54 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 46683509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).