5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole

C11H17NOS — CID 130511882

IUPAC5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole
SMILESCc1sc(C(C)C)nc1C1CCOC1
InChIInChI=1S/C11H17NOS/c1-7(2)11-12-10(8(3)14-11)9-4-5-13-6-9/h7,9H,4-6H2,1-3H3
InChIKeyDKJMNFMDZXAMPC-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.08
Rot. Bonds2

About 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole

5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 130511882) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID130511882
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole
SMILESCc1sc(C(C)C)nc1C1CCOC1
InChIInChI=1S/C11H17NOS/c1-7(2)11-12-10(8(3)14-11)9-4-5-13-6-9/h7,9H,4-6H2,1-3H3
InChIKeyDKJMNFMDZXAMPC-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole (CID 130511882) is 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole is Cc1sc(C(C)C)nc1C1CCOC1.
What is the InChIKey of 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is DKJMNFMDZXAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)11-12-10(8(3)14-11)9-4-5-13-6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole?
5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-3-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 130511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).