2-propan-2-yl-4-propyl-1,3-thiazole

C9H15NS — CID 54281113

IUPAC2-propan-2-yl-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(C)C)n1
InChIInChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyRQVTUZSNNLPWLJ-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.22
Rot. Bonds3

About 2-propan-2-yl-4-propyl-1,3-thiazole

2-propan-2-yl-4-propyl-1,3-thiazole (PubChem CID 54281113) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-propan-2-yl-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-propyl-1,3-thiazole
PubChem CID54281113
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-propan-2-yl-4-propyl-1,3-thiazole
SMILESCCCc1csc(C(C)C)n1
InChIInChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyRQVTUZSNNLPWLJ-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propyl-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-propyl-1,3-thiazole (CID 54281113) is 2-propan-2-yl-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-propyl-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-propyl-1,3-thiazole is CCCc1csc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-propyl-1,3-thiazole?
The InChIKey is RQVTUZSNNLPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propyl-1,3-thiazole?
2-propan-2-yl-4-propyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propyl-1,3-thiazole is sourced from PubChem (CID 54281113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).