2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole

C10H15NOS — CID 154743900

IUPAC2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole
SMILESCc1nc(C2CCOCC2)c(C)s1
InChIInChI=1S/C10H15NOS/c1-7-10(11-8(2)13-7)9-3-5-12-6-4-9/h9H,3-6H2,1-2H3
InChIKeyUDKJZNDTTCOXHW-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.65
Rot. Bonds1

About 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole

2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole (PubChem CID 154743900) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole
PubChem CID154743900
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole
SMILESCc1nc(C2CCOCC2)c(C)s1
InChIInChI=1S/C10H15NOS/c1-7-10(11-8(2)13-7)9-3-5-12-6-4-9/h9H,3-6H2,1-2H3
InChIKeyUDKJZNDTTCOXHW-UHFFFAOYSA-N
XLogP2.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole (CID 154743900) is 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole is Cc1nc(C2CCOCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole?
The InChIKey is UDKJZNDTTCOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-10(11-8(2)13-7)9-3-5-12-6-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole?
2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole has a molecular weight of 197.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(oxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 154743900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).