4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole

C11H19NS — CID 58157867

IUPAC4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole
SMILESCCCc1nscc1CC(C)(C)C
InChIInChI=1S/C11H19NS/c1-5-6-10-9(8-13-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPMEVRWRYMLWSHE-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.68
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole

4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole (PubChem CID 58157867) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole
PubChem CID58157867
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole
SMILESCCCc1nscc1CC(C)(C)C
InChIInChI=1S/C11H19NS/c1-5-6-10-9(8-13-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPMEVRWRYMLWSHE-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole (CID 58157867) is 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole is CCCc1nscc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole?
The InChIKey is PMEVRWRYMLWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-6-10-9(8-13-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole?
4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-propyl-1,2-thiazole is sourced from PubChem (CID 58157867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).