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

C5H9NS — CID 130420619

IUPAC(5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CS[C@@H]1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4?,5-/m1/s1
InChIKeyMQULHHGPCRMEGA-BRJRFNKRSA-N
MW115.20 g/mol
LogP1.54
Rot. Bonds

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

(5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 130420619) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID130420619
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1N=CS[C@@H]1C
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4?,5-/m1/s1
InChIKeyMQULHHGPCRMEGA-BRJRFNKRSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole (CID 130420619) is (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole is CC1N=CS[C@@H]1C.
What is the InChIKey of (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is MQULHHGPCRMEGA-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h3-5H,1-2H3/t4?,5-/m1/s1.
What are the key properties of (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole?
(5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 130420619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).