3-methyl-5-propyl-1,2-thiazole

C7H11NS — CID 57027574

IUPAC3-methyl-5-propyl-1,2-thiazole
SMILESCCCc1cc(C)ns1
InChIInChI=1S/C7H11NS/c1-3-4-7-5-6(2)8-9-7/h5H,3-4H2,1-2H3
InChIKeyVBXPUFLEBAGKTB-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.40
Rot. Bonds2

About 3-methyl-5-propyl-1,2-thiazole

3-methyl-5-propyl-1,2-thiazole (PubChem CID 57027574) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 3-methyl-5-propyl-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-propyl-1,2-thiazole
PubChem CID57027574
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name3-methyl-5-propyl-1,2-thiazole
SMILESCCCc1cc(C)ns1
InChIInChI=1S/C7H11NS/c1-3-4-7-5-6(2)8-9-7/h5H,3-4H2,1-2H3
InChIKeyVBXPUFLEBAGKTB-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyl-1,2-thiazole?
The IUPAC name of 3-methyl-5-propyl-1,2-thiazole (CID 57027574) is 3-methyl-5-propyl-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-propyl-1,2-thiazole?
The canonical SMILES for 3-methyl-5-propyl-1,2-thiazole is CCCc1cc(C)ns1.
What is the InChIKey of 3-methyl-5-propyl-1,2-thiazole?
The InChIKey is VBXPUFLEBAGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-7-5-6(2)8-9-7/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-propyl-1,2-thiazole?
3-methyl-5-propyl-1,2-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-1,2-thiazole is sourced from PubChem (CID 57027574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).