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

C9H17NS — CID 121260868

IUPAC3,4-di(propan-2-yl)-2H-1,3-thiazole
SMILESCC(C)C1=CSCN1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyFSYQWCCJFNETBH-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.90
Rot. Bonds2

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

3,4-di(propan-2-yl)-2H-1,3-thiazole (PubChem CID 121260868) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2H-1,3-thiazole
PubChem CID121260868
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,4-di(propan-2-yl)-2H-1,3-thiazole
SMILESCC(C)C1=CSCN1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyFSYQWCCJFNETBH-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2H-1,3-thiazole?
The IUPAC name of 3,4-di(propan-2-yl)-2H-1,3-thiazole (CID 121260868) is 3,4-di(propan-2-yl)-2H-1,3-thiazole.
What is the SMILES notation for 3,4-di(propan-2-yl)-2H-1,3-thiazole?
The canonical SMILES for 3,4-di(propan-2-yl)-2H-1,3-thiazole is CC(C)C1=CSCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2H-1,3-thiazole?
The InChIKey is FSYQWCCJFNETBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-2H-1,3-thiazole?
3,4-di(propan-2-yl)-2H-1,3-thiazole has a molecular weight of 171.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2H-1,3-thiazole is sourced from PubChem (CID 121260868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).