2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C11H17NOS — CID 58125085

IUPAC2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCOCc1nc2c(s1)CCC2C(C)C
InChIInChI=1S/C11H17NOS/c1-7(2)8-4-5-9-11(8)12-10(14-9)6-13-3/h7-8H,4-6H2,1-3H3
InChIKeyUHKMCAXQIKRKOL-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.98
Rot. Bonds3

About 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 58125085) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID58125085
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCOCc1nc2c(s1)CCC2C(C)C
InChIInChI=1S/C11H17NOS/c1-7(2)8-4-5-9-11(8)12-10(14-9)6-13-3/h7-8H,4-6H2,1-3H3
InChIKeyUHKMCAXQIKRKOL-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 58125085) is 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is COCc1nc2c(s1)CCC2C(C)C.
What is the InChIKey of 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is UHKMCAXQIKRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)8-4-5-9-11(8)12-10(14-9)6-13-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 211.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).