(5R)-5-methyl-4,5-dihydro-1,3-thiazole

C4H7NS — CID 130420771

IUPAC(5R)-5-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=CS1
InChIInChI=1S/C4H7NS/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyIQQNLNOMZISILX-SCSAIBSYSA-N
MW101.17 g/mol
LogP1.15
Rot. Bonds

About (5R)-5-methyl-4,5-dihydro-1,3-thiazole

(5R)-5-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 130420771) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is (5R)-5-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5R)-5-methyl-4,5-dihydro-1,3-thiazole
PubChem CID130420771
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name(5R)-5-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=CS1
InChIInChI=1S/C4H7NS/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyIQQNLNOMZISILX-SCSAIBSYSA-N
XLogP1.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5R)-5-methyl-4,5-dihydro-1,3-thiazole (CID 130420771) is (5R)-5-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5R)-5-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5R)-5-methyl-4,5-dihydro-1,3-thiazole is C[C@@H]1CN=CS1.
What is the InChIKey of (5R)-5-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is IQQNLNOMZISILX-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7NS/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m1/s1.
What are the key properties of (5R)-5-methyl-4,5-dihydro-1,3-thiazole?
(5R)-5-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 101.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 130420771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).