4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole

C11H17NOS — CID 2861810

IUPAC4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCOC(C)(C)C2)cs1
InChIInChI=1S/C11H17NOS/c1-8-12-10(7-14-8)9-4-5-13-11(2,3)6-9/h7,9H,4-6H2,1-3H3
InChIKeyWBFXXJYCKPNBDU-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.12
Rot. Bonds1

About 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole

4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole (PubChem CID 2861810) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole
PubChem CID2861810
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCOC(C)(C)C2)cs1
InChIInChI=1S/C11H17NOS/c1-8-12-10(7-14-8)9-4-5-13-11(2,3)6-9/h7,9H,4-6H2,1-3H3
InChIKeyWBFXXJYCKPNBDU-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole (CID 2861810) is 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole is Cc1nc(C2CCOC(C)(C)C2)cs1.
What is the InChIKey of 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole?
The InChIKey is WBFXXJYCKPNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-12-10(7-14-8)9-4-5-13-11(2,3)6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole?
4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyloxan-4-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2861810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).