7,7-dimethylcyclohepta[d][1,3]thiazole

C10H11NS — CID 143871736

IUPAC7,7-dimethylcyclohepta[d][1,3]thiazole
SMILESCC1(C)C=CC=c2ncsc2=C1
InChIInChI=1S/C10H11NS/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3
InChIKeyFXRKNSKKBWIIDY-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.30
Rot. Bonds

About 7,7-dimethylcyclohepta[d][1,3]thiazole

7,7-dimethylcyclohepta[d][1,3]thiazole (PubChem CID 143871736) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 7,7-dimethylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7,7-dimethylcyclohepta[d][1,3]thiazole
PubChem CID143871736
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name7,7-dimethylcyclohepta[d][1,3]thiazole
SMILESCC1(C)C=CC=c2ncsc2=C1
InChIInChI=1S/C10H11NS/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3
InChIKeyFXRKNSKKBWIIDY-UHFFFAOYSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylcyclohepta[d][1,3]thiazole?
The IUPAC name of 7,7-dimethylcyclohepta[d][1,3]thiazole (CID 143871736) is 7,7-dimethylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7,7-dimethylcyclohepta[d][1,3]thiazole?
The canonical SMILES for 7,7-dimethylcyclohepta[d][1,3]thiazole is CC1(C)C=CC=c2ncsc2=C1.
What is the InChIKey of 7,7-dimethylcyclohepta[d][1,3]thiazole?
The InChIKey is FXRKNSKKBWIIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)5-3-4-8-9(6-10)12-7-11-8/h3-7H,1-2H3.
What are the key properties of 7,7-dimethylcyclohepta[d][1,3]thiazole?
7,7-dimethylcyclohepta[d][1,3]thiazole has a molecular weight of 177.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).