[1,3]thiazolo[3,2-a]indole

C10H7NS — CID 19599422

IUPAC[1,3]thiazolo[3,2-a]indole
SMILESc1ccc2c(c1)cc1sccn12
InChIInChI=1S/C10H7NS/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-7H
InChIKeyNKEGHPOGONHAJP-UHFFFAOYSA-N
MW173.24 g/mol
LogP3.15
Rot. Bonds

About [1,3]thiazolo[3,2-a]indole

[1,3]thiazolo[3,2-a]indole (PubChem CID 19599422) has the molecular formula C10H7NS and a molecular weight of 173.24 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a]indole.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a]indole
PubChem CID19599422
Molecular FormulaC10H7NS
Molecular Weight173.24 g/mol
Exact Mass173.03
IUPAC Name[1,3]thiazolo[3,2-a]indole
SMILESc1ccc2c(c1)cc1sccn12
InChIInChI=1S/C10H7NS/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-7H
InChIKeyNKEGHPOGONHAJP-UHFFFAOYSA-N
XLogP3.15
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a]indole?
The IUPAC name of [1,3]thiazolo[3,2-a]indole (CID 19599422) is [1,3]thiazolo[3,2-a]indole.
What is the SMILES notation for [1,3]thiazolo[3,2-a]indole?
The canonical SMILES for [1,3]thiazolo[3,2-a]indole is c1ccc2c(c1)cc1sccn12.
What is the InChIKey of [1,3]thiazolo[3,2-a]indole?
The InChIKey is NKEGHPOGONHAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-7H.
What are the key properties of [1,3]thiazolo[3,2-a]indole?
[1,3]thiazolo[3,2-a]indole has a molecular weight of 173.24 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a]indole is sourced from PubChem (CID 19599422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).