3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole

C12H15NS — CID 142411219

IUPAC3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole
SMILESCC1=CC(C)(C)C=c2c(C)nsc2=C1
InChIInChI=1S/C12H15NS/c1-8-5-11-10(9(2)13-14-11)7-12(3,4)6-8/h5-7H,1-4H3
InChIKeyYJRXTRWQPKFNDR-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.00
Rot. Bonds

About 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole

3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole (PubChem CID 142411219) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole.

Molecular Properties

Compound Name3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole
PubChem CID142411219
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole
SMILESCC1=CC(C)(C)C=c2c(C)nsc2=C1
InChIInChI=1S/C12H15NS/c1-8-5-11-10(9(2)13-14-11)7-12(3,4)6-8/h5-7H,1-4H3
InChIKeyYJRXTRWQPKFNDR-UHFFFAOYSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole?
The IUPAC name of 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole (CID 142411219) is 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole.
What is the SMILES notation for 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole?
The canonical SMILES for 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole is CC1=CC(C)(C)C=c2c(C)nsc2=C1.
What is the InChIKey of 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole?
The InChIKey is YJRXTRWQPKFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-5-11-10(9(2)13-14-11)7-12(3,4)6-8/h5-7H,1-4H3.
What are the key properties of 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole?
3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole has a molecular weight of 205.33 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,7-tetramethylcyclohepta[d][1,2]thiazole is sourced from PubChem (CID 142411219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).