(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

C7H13NS — CID 37030033

IUPAC(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
SMILESCC[C@H]1N=C(C)[C@@H](C)S1
InChIInChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3/t6-,7+/m1/s1
InChIKeyCSACPVARWHDAET-RQJHMYQMSA-N
MW143.25 g/mol
LogP2.32
Rot. Bonds1

About (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole (PubChem CID 37030033) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
PubChem CID37030033
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
SMILESCC[C@H]1N=C(C)[C@@H](C)S1
InChIInChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3/t6-,7+/m1/s1
InChIKeyCSACPVARWHDAET-RQJHMYQMSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
CID 86312344
(2R,4R)-2,4,6-triethyl-4H-1,3,5-dithiazine
CID 124705673
4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
CID 6429117
ethane;4-ethyl-3,5-dimethyl-4H-pyrazole
CID 144533099
2,5-diethyl-2,5-dihydro-1,3-thiazole
CID 3065522
(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 166775922
4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 58833851
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710
2-ethyl-4,6-dimethyl-1,3,5-dithiazinane
CID 529054
(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 89091133
5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 23467383
(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole
CID 140915300

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The IUPAC name of (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole (CID 37030033) is (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole is CC[C@H]1N=C(C)[C@@H](C)S1.
What is the InChIKey of (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
The InChIKey is CSACPVARWHDAET-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole?
(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 37030033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).