N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C15H17FN2OS2 — CID 2591188

IUPACN-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2OS2/c1-3-10(2)17-14(19)9-21-15-18-13(8-20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyUDMATNXERNCUNN-SNVBAGLBSA-N
MW324.45 g/mol
LogP3.96
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 2591188) has the molecular formula C15H17FN2OS2 and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID2591188
Molecular FormulaC15H17FN2OS2
Molecular Weight324.45 g/mol
Exact Mass324.08
IUPAC NameN-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2OS2/c1-3-10(2)17-14(19)9-21-15-18-13(8-20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyUDMATNXERNCUNN-SNVBAGLBSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2496108
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 5196653
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112778383
3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 112810677
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591206
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-[(2S)-butan-2-yl]-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
CID 7468820

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 2591188) is N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UDMATNXERNCUNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN2OS2/c1-3-10(2)17-14(19)9-21-15-18-13(8-20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2591188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).