2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

C9H13NOS — CID 123945310

IUPAC2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCOc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H13NOS/c1-11-9-10-7-5-3-2-4-6-8(7)12-9/h2-6H2,1H3
InChIKeyPOIUQMRXIJPVQX-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.42
Rot. Bonds1

About 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 123945310) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID123945310
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCOc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H13NOS/c1-11-9-10-7-5-3-2-4-6-8(7)12-9/h2-6H2,1H3
InChIKeyPOIUQMRXIJPVQX-UHFFFAOYSA-N
XLogP2.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 123945310) is 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is COc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is POIUQMRXIJPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-11-9-10-7-5-3-2-4-6-8(7)12-9/h2-6H2,1H3.
What are the key properties of 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 183.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 123945310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).