2,4-di(propan-2-yl)-1,3-thiazole 1-oxide

C9H15NOS — CID 141192478

IUPAC2,4-di(propan-2-yl)-1,3-thiazole 1-oxide
SMILESCC(C)C1=CS(=O)C(C(C)C)=N1
InChIInChI=1S/C9H15NOS/c1-6(2)8-5-12(11)9(10-8)7(3)4/h5-7H,1-4H3
InChIKeyPRTRABSACCYBBN-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.30
Rot. Bonds2

About 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide

2,4-di(propan-2-yl)-1,3-thiazole 1-oxide (PubChem CID 141192478) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1,3-thiazole 1-oxide
PubChem CID141192478
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2,4-di(propan-2-yl)-1,3-thiazole 1-oxide
SMILESCC(C)C1=CS(=O)C(C(C)C)=N1
InChIInChI=1S/C9H15NOS/c1-6(2)8-5-12(11)9(10-8)7(3)4/h5-7H,1-4H3
InChIKeyPRTRABSACCYBBN-UHFFFAOYSA-N
XLogP2.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide?
The IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide (CID 141192478) is 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide.
What is the SMILES notation for 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide?
The canonical SMILES for 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide is CC(C)C1=CS(=O)C(C(C)C)=N1.
What is the InChIKey of 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide?
The InChIKey is PRTRABSACCYBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6(2)8-5-12(11)9(10-8)7(3)4/h5-7H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide?
2,4-di(propan-2-yl)-1,3-thiazole 1-oxide has a molecular weight of 185.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1,3-thiazole 1-oxide is sourced from PubChem (CID 141192478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).