ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole

C10H17NS — CID 143500302

IUPACethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
SMILESCC.CC1C=C2NCSC2=CC1
InChIInChI=1S/C8H11NS.C2H6/c1-6-2-3-8-7(4-6)9-5-10-8;1-2/h3-4,6,9H,2,5H2,1H3;1-2H3
InChIKeyQHQPYSCCPAUTHT-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.11
Rot. Bonds

About ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole

ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole (PubChem CID 143500302) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
PubChem CID143500302
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Nameethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
SMILESCC.CC1C=C2NCSC2=CC1
InChIInChI=1S/C8H11NS.C2H6/c1-6-2-3-8-7(4-6)9-5-10-8;1-2/h3-4,6,9H,2,5H2,1H3;1-2H3
InChIKeyQHQPYSCCPAUTHT-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256493
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143383131
2,3,5,6-Tetrahydro-1,3-benzothiazole
CID 148635223
3,5-Dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole
CID 149175094
7-Methyl-2,3,7,7a-tetrahydro-1,3-benzothiazole
CID 164071801
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256494
5-Methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
CID 143500303

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole?
The IUPAC name of ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole (CID 143500302) is ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole?
The canonical SMILES for ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole is CC.CC1C=C2NCSC2=CC1.
What is the InChIKey of ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole?
The InChIKey is QHQPYSCCPAUTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.C2H6/c1-6-2-3-8-7(4-6)9-5-10-8;1-2/h3-4,6,9H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole?
ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole has a molecular weight of 183.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 143500302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).