4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole

C7H13NS2 — CID 126992900

IUPAC4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCCCSC1=NC(C)CS1
InChIInChI=1S/C7H13NS2/c1-3-4-9-7-8-6(2)5-10-7/h6H,3-5H2,1-2H3
InChIKeyDLWJZXJBOCAALO-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.62
Rot. Bonds2

About 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole

4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 126992900) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID126992900
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCCCSC1=NC(C)CS1
InChIInChI=1S/C7H13NS2/c1-3-4-9-7-8-6(2)5-10-7/h6H,3-5H2,1-2H3
InChIKeyDLWJZXJBOCAALO-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole (CID 126992900) is 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole is CCCSC1=NC(C)CS1.
What is the InChIKey of 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is DLWJZXJBOCAALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-3-4-9-7-8-6(2)5-10-7/h6H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole?
4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 175.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylsulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 126992900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).