(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol

C13H17NO2S2 — CID 96535838

IUPAC(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCc1oc(-c2cccs2)nc1CS[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H17NO2S2/c1-8(15)10(3)18-7-11-9(2)16-13(14-11)12-5-4-6-17-12/h4-6,8,10,15H,7H2,1-3H3/t8-,10-/m0/s1
InChIKeyWDVVCCSIBYNXJW-WPRPVWTQSA-N
MW283.42 g/mol
LogP3.71
Rot. Bonds5

About (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol

(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol (PubChem CID 96535838) has the molecular formula C13H17NO2S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
PubChem CID96535838
Molecular FormulaC13H17NO2S2
Molecular Weight283.42 g/mol
Exact Mass283.07
IUPAC Name(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
SMILESCc1oc(-c2cccs2)nc1CS[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H17NO2S2/c1-8(15)10(3)18-7-11-9(2)16-13(14-11)12-5-4-6-17-12/h4-6,8,10,15H,7H2,1-3H3/t8-,10-/m0/s1
InChIKeyWDVVCCSIBYNXJW-WPRPVWTQSA-N
XLogP3.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 31407456
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 97002491
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
(2R)-2-amino-3-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 106442416
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 31903440

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The IUPAC name of (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol (CID 96535838) is (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol.
What is the SMILES notation for (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The canonical SMILES for (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol is Cc1oc(-c2cccs2)nc1CS[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
The InChIKey is WDVVCCSIBYNXJW-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H17NO2S2/c1-8(15)10(3)18-7-11-9(2)16-13(14-11)12-5-4-6-17-12/h4-6,8,10,15H,7H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol?
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol is sourced from PubChem (CID 96535838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).