3,5-di(propan-2-yl)-1,2-thiazole

C9H15NS — CID 15621352

IUPAC3,5-di(propan-2-yl)-1,2-thiazole
SMILESCC(C)c1cc(C(C)C)sn1
InChIInChI=1S/C9H15NS/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3
InChIKeyCFCZRTDTLBXMPO-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.39
Rot. Bonds2

About 3,5-di(propan-2-yl)-1,2-thiazole

3,5-di(propan-2-yl)-1,2-thiazole (PubChem CID 15621352) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2-thiazole
PubChem CID15621352
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3,5-di(propan-2-yl)-1,2-thiazole
SMILESCC(C)c1cc(C(C)C)sn1
InChIInChI=1S/C9H15NS/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3
InChIKeyCFCZRTDTLBXMPO-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2-thiazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2-thiazole (CID 15621352) is 3,5-di(propan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2-thiazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2-thiazole is CC(C)c1cc(C(C)C)sn1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2-thiazole?
The InChIKey is CFCZRTDTLBXMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2-thiazole?
3,5-di(propan-2-yl)-1,2-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2-thiazole is sourced from PubChem (CID 15621352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).