2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole

C7H11NS — CID 126672065

IUPAC2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole
SMILESCC1=NC2CCCC2S1
InChIInChI=1S/C7H11NS/c1-5-8-6-3-2-4-7(6)9-5/h6-7H,2-4H2,1H3
InChIKeyDRCRIZSZEZRKNL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.07
Rot. Bonds

About 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole

2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole (PubChem CID 126672065) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole
PubChem CID126672065
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole
SMILESCC1=NC2CCCC2S1
InChIInChI=1S/C7H11NS/c1-5-8-6-3-2-4-7(6)9-5/h6-7H,2-4H2,1H3
InChIKeyDRCRIZSZEZRKNL-UHFFFAOYSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole (CID 126672065) is 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole is CC1=NC2CCCC2S1.
What is the InChIKey of 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole?
The InChIKey is DRCRIZSZEZRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-8-6-3-2-4-7(6)9-5/h6-7H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole?
2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 126672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).