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

C9H13NOS — CID 130377066

IUPAC2-methyl-5-(oxan-4-yl)-1,3-thiazole
SMILESCc1ncc(C2CCOCC2)s1
InChIInChI=1S/C9H13NOS/c1-7-10-6-9(12-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3
InChIKeyZOFMGKYUOVRMQP-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.35
Rot. Bonds1

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

2-methyl-5-(oxan-4-yl)-1,3-thiazole (PubChem CID 130377066) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methyl-5-(oxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(oxan-4-yl)-1,3-thiazole
PubChem CID130377066
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-methyl-5-(oxan-4-yl)-1,3-thiazole
SMILESCc1ncc(C2CCOCC2)s1
InChIInChI=1S/C9H13NOS/c1-7-10-6-9(12-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3
InChIKeyZOFMGKYUOVRMQP-UHFFFAOYSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-4-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(oxan-4-yl)-1,3-thiazole (CID 130377066) is 2-methyl-5-(oxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(oxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(oxan-4-yl)-1,3-thiazole is Cc1ncc(C2CCOCC2)s1.
What is the InChIKey of 2-methyl-5-(oxan-4-yl)-1,3-thiazole?
The InChIKey is ZOFMGKYUOVRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-10-6-9(12-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-methyl-5-(oxan-4-yl)-1,3-thiazole?
2-methyl-5-(oxan-4-yl)-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 130377066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).