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

C15H18N2OS2 — CID 94801455

IUPAC2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
SMILESCC[C@H](Sc1nc(C)c(CC(N)=O)s1)c1ccccc1
InChIInChI=1S/C15H18N2OS2/c1-3-12(11-7-5-4-6-8-11)19-15-17-10(2)13(20-15)9-14(16)18/h4-8,12H,3,9H2,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyRXDAGATYWGEVCU-LBPRGKRZSA-N
MW306.46 g/mol
LogP3.72
Rot. Bonds6

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

2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide (PubChem CID 94801455) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
PubChem CID94801455
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
SMILESCC[C@H](Sc1nc(C)c(CC(N)=O)s1)c1ccccc1
InChIInChI=1S/C15H18N2OS2/c1-3-12(11-7-5-4-6-8-11)19-15-17-10(2)13(20-15)9-14(16)18/h4-8,12H,3,9H2,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyRXDAGATYWGEVCU-LBPRGKRZSA-N
XLogP3.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 51645649
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683590
2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589896
2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52504711
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589923
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 46683483
2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47065500
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52531669

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide (CID 94801455) is 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide is CC[C@H](Sc1nc(C)c(CC(N)=O)s1)c1ccccc1.
What is the InChIKey of 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is RXDAGATYWGEVCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-3-12(11-7-5-4-6-8-11)19-15-17-10(2)13(20-15)9-14(16)18/h4-8,12H,3,9H2,1-2H3,(H2,16,18)/t12-/m0/s1.
What are the key properties of 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide?
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 306.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 94801455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).