2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C19H26N2O2S2 — CID 52531669

IUPAC2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)sc1CC(N)=O
InChIInChI=1S/C19H26N2O2S2/c1-10-15(6-16(20)22)25-18(21-10)24-11(2)17(23)19-7-12-3-13(8-19)5-14(4-12)9-19/h11-14H,3-9H2,1-2H3,(H2,20,22)/t11-,12?,13?,14?,19?/m0/s1
InChIKeyCVKUBIKBRZKTQG-NZWMYCLXSA-N
MW378.56 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 52531669) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID52531669
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)sc1CC(N)=O
InChIInChI=1S/C19H26N2O2S2/c1-10-15(6-16(20)22)25-18(21-10)24-11(2)17(23)19-7-12-3-13(8-19)5-14(4-12)9-19/h11-14H,3-9H2,1-2H3,(H2,20,22)/t11-,12?,13?,14?,19?/m0/s1
InChIKeyCVKUBIKBRZKTQG-NZWMYCLXSA-N
XLogP3.75
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide 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

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
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
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
(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-(2-phenylpropyl)propanamide
CID 46683509
2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47068561
1-(1-adamantyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 46826422
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589923
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 46683483
2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52504711
1-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 18291243

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 52531669) is 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)sc1CC(N)=O.
What is the InChIKey of 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is CVKUBIKBRZKTQG-NZWMYCLXSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-10-15(6-16(20)22)25-18(21-10)24-11(2)17(23)19-7-12-3-13(8-19)5-14(4-12)9-19/h11-14H,3-9H2,1-2H3,(H2,20,22)/t11-,12?,13?,14?,19?/m0/s1.
What are the key properties of 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 378.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 52531669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).