5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol

C11H7ClN2OS — CID 176925914

IUPAC5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol
SMILESSc1cc2cc(Cl)c(-c3ncco3)cc2[nH]1
InChIInChI=1S/C11H7ClN2OS/c12-8-3-6-4-10(16)14-9(6)5-7(8)11-13-1-2-15-11/h1-5,14,16H
InChIKeyXVIONRNEEIQGQI-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.77
Rot. Bonds1

About 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol

5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol (PubChem CID 176925914) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol.

Molecular Properties

Compound Name5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol
PubChem CID176925914
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol
SMILESSc1cc2cc(Cl)c(-c3ncco3)cc2[nH]1
InChIInChI=1S/C11H7ClN2OS/c12-8-3-6-4-10(16)14-9(6)5-7(8)11-13-1-2-15-11/h1-5,14,16H
InChIKeyXVIONRNEEIQGQI-UHFFFAOYSA-N
XLogP3.77
TPSA41.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(5-ethoxypyrazin-2-yl)-1H-indole-2-thiol
CID 176925777
5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one
CID 123652402
2-(5-bromo-2-chlorophenyl)-1,3-oxazole
CID 130839908
5-chloro-2-(1,3-oxazol-2-yl)aniline
CID 59485553
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
2-[3,6,8-tris(1,3-oxazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 90336805
2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
CID 175907595
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole
CID 175068504
2-(2,5-difluorophenyl)-1,3-oxazole
CID 10678958
3-(1,3-oxazol-2-yl)-1H-pyridin-2-one
CID 90827110
2-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]benzamide
CID 173155107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol?
The IUPAC name of 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol (CID 176925914) is 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol.
What is the SMILES notation for 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol?
The canonical SMILES for 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol is Sc1cc2cc(Cl)c(-c3ncco3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol?
The InChIKey is XVIONRNEEIQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c12-8-3-6-4-10(16)14-9(6)5-7(8)11-13-1-2-15-11/h1-5,14,16H.
What are the key properties of 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol?
5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol has a molecular weight of 250.71 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,3-oxazol-2-yl)-1H-indole-2-thiol is sourced from PubChem (CID 176925914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).