(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole

C5H9NS2 — CID 40544049

IUPAC(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCSC1=N[C@@H](C)CS1
InChIInChI=1S/C5H9NS2/c1-4-3-8-5(6-4)7-2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyDBXAYKIWPLDLHA-BYPYZUCNSA-N
MW147.27 g/mol
LogP1.84
Rot. Bonds

About (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole

(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 40544049) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID40544049
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCSC1=N[C@@H](C)CS1
InChIInChI=1S/C5H9NS2/c1-4-3-8-5(6-4)7-2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyDBXAYKIWPLDLHA-BYPYZUCNSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole (CID 40544049) is (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole is CSC1=N[C@@H](C)CS1.
What is the InChIKey of (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is DBXAYKIWPLDLHA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NS2/c1-4-3-8-5(6-4)7-2/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 147.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 40544049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).