2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole

C10H7NS2 — CID 645523

IUPAC2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole
SMILESCc1nc2c(s1)sc1ccccc12
InChIInChI=1S/C10H7NS2/c1-6-11-9-7-4-2-3-5-8(7)13-10(9)12-6/h2-5H,1H3
InChIKeyOFYKQOPWBPFYCU-UHFFFAOYSA-N
MW205.31 g/mol
LogP3.82
Rot. Bonds

About 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole

2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole (PubChem CID 645523) has the molecular formula C10H7NS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole
PubChem CID645523
Molecular FormulaC10H7NS2
Molecular Weight205.31 g/mol
Exact Mass205.00
IUPAC Name2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole
SMILESCc1nc2c(s1)sc1ccccc12
InChIInChI=1S/C10H7NS2/c1-6-11-9-7-4-2-3-5-8(7)13-10(9)12-6/h2-5H,1H3
InChIKeyOFYKQOPWBPFYCU-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole?
The IUPAC name of 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole (CID 645523) is 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole?
The canonical SMILES for 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole is Cc1nc2c(s1)sc1ccccc12.
What is the InChIKey of 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole?
The InChIKey is OFYKQOPWBPFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS2/c1-6-11-9-7-4-2-3-5-8(7)13-10(9)12-6/h2-5H,1H3.
What are the key properties of 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole?
2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole has a molecular weight of 205.31 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1]benzothiolo[3,2-d][1,3]thiazole is sourced from PubChem (CID 645523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).