4-methyl-5-propylsulfanyl-1,3-thiazole

C7H11NS2 — CID 54423469

IUPAC4-methyl-5-propylsulfanyl-1,3-thiazole
SMILESCCCSc1scnc1C
InChIInChI=1S/C7H11NS2/c1-3-4-9-7-6(2)8-5-10-7/h5H,3-4H2,1-2H3
InChIKeyWOZFHPPNSWPNPR-UHFFFAOYSA-N
MW173.31 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-5-propylsulfanyl-1,3-thiazole

4-methyl-5-propylsulfanyl-1,3-thiazole (PubChem CID 54423469) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 4-methyl-5-propylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-propylsulfanyl-1,3-thiazole
PubChem CID54423469
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name4-methyl-5-propylsulfanyl-1,3-thiazole
SMILESCCCSc1scnc1C
InChIInChI=1S/C7H11NS2/c1-3-4-9-7-6(2)8-5-10-7/h5H,3-4H2,1-2H3
InChIKeyWOZFHPPNSWPNPR-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propylsulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-5-propylsulfanyl-1,3-thiazole (CID 54423469) is 4-methyl-5-propylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-propylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-propylsulfanyl-1,3-thiazole is CCCSc1scnc1C.
What is the InChIKey of 4-methyl-5-propylsulfanyl-1,3-thiazole?
The InChIKey is WOZFHPPNSWPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c1-3-4-9-7-6(2)8-5-10-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-propylsulfanyl-1,3-thiazole?
4-methyl-5-propylsulfanyl-1,3-thiazole has a molecular weight of 173.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propylsulfanyl-1,3-thiazole is sourced from PubChem (CID 54423469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).