2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole

C11H11NOS3 — CID 97016350

IUPAC2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole
SMILESO=[S@@](CCSc1nccs1)c1ccccc1
InChIInChI=1S/C11H11NOS3/c13-16(10-4-2-1-3-5-10)9-8-15-11-12-6-7-14-11/h1-7H,8-9H2/t16-/m0/s1
InChIKeyOWWZRAWMGUXWNR-INIZCTEOSA-N
MW269.42 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole

2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole (PubChem CID 97016350) has the molecular formula C11H11NOS3 and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole
PubChem CID97016350
Molecular FormulaC11H11NOS3
Molecular Weight269.42 g/mol
Exact Mass269.00
IUPAC Name2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole
SMILESO=[S@@](CCSc1nccs1)c1ccccc1
InChIInChI=1S/C11H11NOS3/c13-16(10-4-2-1-3-5-10)9-8-15-11-12-6-7-14-11/h1-7H,8-9H2/t16-/m0/s1
InChIKeyOWWZRAWMGUXWNR-INIZCTEOSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
CID 130628845
1,3-thiazol-2-ylsulfanylformic acid
CID 88841214
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
2-phenylsulfanyl-1,3-thiazole
CID 606073
methyl 2-amino-2-phenyl-4-(1,3-thiazol-2-ylsulfanyl)butanoate
CID 116694693
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
methyl 2-[2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]acetate
CID 113314363
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
2-(9-bromononylsulfanyl)-1,3-thiazole
CID 105343460
5-(4-fluorophenyl)-4-[2-[(S)-phenylsulfinyl]ethylsulfanyl]thieno[2,3-d]pyrimidine
CID 97016349
[2-[3-(1,3-thiazol-2-ylsulfanyl)propoxy]phenyl]methanamine
CID 61220655
2-methylsulfonyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]aniline
CID 71912459

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole?
The IUPAC name of 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole (CID 97016350) is 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole is O=[S@@](CCSc1nccs1)c1ccccc1.
What is the InChIKey of 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole?
The InChIKey is OWWZRAWMGUXWNR-INIZCTEOSA-N. The full InChI is InChI=1S/C11H11NOS3/c13-16(10-4-2-1-3-5-10)9-8-15-11-12-6-7-14-11/h1-7H,8-9H2/t16-/m0/s1.
What are the key properties of 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole?
2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole has a molecular weight of 269.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 97016350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).