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

C16H25N3O2S2 — CID 51928928

IUPAC(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
SMILESCc1nc(S[C@@H](C)C(=O)NC2CCCCCC2)sc1CC(N)=O
InChIInChI=1S/C16H25N3O2S2/c1-10-13(9-14(17)20)23-16(18-10)22-11(2)15(21)19-12-7-5-3-4-6-8-12/h11-12H,3-9H2,1-2H3,(H2,17,20)(H,19,21)/t11-/m0/s1
InChIKeyBEZOVYQLLSWGLL-NSHDSACASA-N
MW355.53 g/mol
LogP2.80
Rot. Bonds6

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

(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide (PubChem CID 51928928) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
PubChem CID51928928
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC Name(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
SMILESCc1nc(S[C@@H](C)C(=O)NC2CCCCCC2)sc1CC(N)=O
InChIInChI=1S/C16H25N3O2S2/c1-10-13(9-14(17)20)23-16(18-10)22-11(2)15(21)19-12-7-5-3-4-6-8-12/h11-12H,3-9H2,1-2H3,(H2,17,20)(H,19,21)/t11-/m0/s1
InChIKeyBEZOVYQLLSWGLL-NSHDSACASA-N
XLogP2.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide with MolForge

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Related Compounds

(2R)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124730176
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 46683525
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 43015197
(2S)-N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40678669
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 46683483
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43117451
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 100842423
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 43110631
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589923
(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide?
The IUPAC name of (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide (CID 51928928) is (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide.
What is the SMILES notation for (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide?
The canonical SMILES for (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide is Cc1nc(S[C@@H](C)C(=O)NC2CCCCCC2)sc1CC(N)=O.
What is the InChIKey of (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide?
The InChIKey is BEZOVYQLLSWGLL-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O2S2/c1-10-13(9-14(17)20)23-16(18-10)22-11(2)15(21)19-12-7-5-3-4-6-8-12/h11-12H,3-9H2,1-2H3,(H2,17,20)(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide?
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide has a molecular weight of 355.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide is sourced from PubChem (CID 51928928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).