3,4-diethyl-5-propan-2-yl-1,2-thiazole

C10H17NS — CID 167407500

IUPAC3,4-diethyl-5-propan-2-yl-1,2-thiazole
SMILESCCc1nsc(C(C)C)c1CC
InChIInChI=1S/C10H17NS/c1-5-8-9(6-2)11-12-10(8)7(3)4/h7H,5-6H2,1-4H3
InChIKeyKYPMPZFPUXBKTJ-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.39
Rot. Bonds3

About 3,4-diethyl-5-propan-2-yl-1,2-thiazole

3,4-diethyl-5-propan-2-yl-1,2-thiazole (PubChem CID 167407500) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3,4-diethyl-5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3,4-diethyl-5-propan-2-yl-1,2-thiazole
PubChem CID167407500
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3,4-diethyl-5-propan-2-yl-1,2-thiazole
SMILESCCc1nsc(C(C)C)c1CC
InChIInChI=1S/C10H17NS/c1-5-8-9(6-2)11-12-10(8)7(3)4/h7H,5-6H2,1-4H3
InChIKeyKYPMPZFPUXBKTJ-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-propan-2-yl-1,2-thiazole?
The IUPAC name of 3,4-diethyl-5-propan-2-yl-1,2-thiazole (CID 167407500) is 3,4-diethyl-5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3,4-diethyl-5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3,4-diethyl-5-propan-2-yl-1,2-thiazole is CCc1nsc(C(C)C)c1CC.
What is the InChIKey of 3,4-diethyl-5-propan-2-yl-1,2-thiazole?
The InChIKey is KYPMPZFPUXBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-8-9(6-2)11-12-10(8)7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 3,4-diethyl-5-propan-2-yl-1,2-thiazole?
3,4-diethyl-5-propan-2-yl-1,2-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 167407500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).