5-methyl-4-propyl-4,5-dihydro-1,2-thiazole

C7H13NS — CID 144952843

IUPAC5-methyl-4-propyl-4,5-dihydro-1,2-thiazole
SMILESCCCC1C=NSC1C
InChIInChI=1S/C7H13NS/c1-3-4-7-5-8-9-6(7)2/h5-7H,3-4H2,1-2H3
InChIKeyIRFNVNFSQZKLIQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.52
Rot. Bonds2

About 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole

5-methyl-4-propyl-4,5-dihydro-1,2-thiazole (PubChem CID 144952843) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-4-propyl-4,5-dihydro-1,2-thiazole
PubChem CID144952843
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-methyl-4-propyl-4,5-dihydro-1,2-thiazole
SMILESCCCC1C=NSC1C
InChIInChI=1S/C7H13NS/c1-3-4-7-5-8-9-6(7)2/h5-7H,3-4H2,1-2H3
InChIKeyIRFNVNFSQZKLIQ-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole?
The IUPAC name of 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole (CID 144952843) is 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole.
What is the SMILES notation for 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole?
The canonical SMILES for 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole is CCCC1C=NSC1C.
What is the InChIKey of 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole?
The InChIKey is IRFNVNFSQZKLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-4-7-5-8-9-6(7)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole?
5-methyl-4-propyl-4,5-dihydro-1,2-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propyl-4,5-dihydro-1,2-thiazole is sourced from PubChem (CID 144952843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).