2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole

C11H17NOS — CID 100742041

IUPAC2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(CC2CCCC2)n1
InChIInChI=1S/C11H17NOS/c1-13-7-10-8-14-11(12-10)6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeyZNQHSSLHXNLMHM-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.02
Rot. Bonds4

About 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole

2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 100742041) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID100742041
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(CC2CCCC2)n1
InChIInChI=1S/C11H17NOS/c1-13-7-10-8-14-11(12-10)6-9-4-2-3-5-9/h8-9H,2-7H2,1H3
InChIKeyZNQHSSLHXNLMHM-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole (CID 100742041) is 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(CC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is ZNQHSSLHXNLMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-13-7-10-8-14-11(12-10)6-9-4-2-3-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole?
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 100742041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).