5-methyl-2-methylsulfanyl-1,3-thiazole

C5H7NS2 — CID 13378789

IUPAC5-methyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1ncc(C)s1
InChIInChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h3H,1-2H3
InChIKeyWNQORAUJIPRIRG-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.17
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-1,3-thiazole

5-methyl-2-methylsulfanyl-1,3-thiazole (PubChem CID 13378789) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-1,3-thiazole
PubChem CID13378789
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name5-methyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1ncc(C)s1
InChIInChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h3H,1-2H3
InChIKeyWNQORAUJIPRIRG-UHFFFAOYSA-N
XLogP2.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylthiazole
CID 77837
5-Methylthiazole
CID 137980
2-Bromo-5-methyl-1,3-thiazole
CID 21906106
5-Ethenyl-1,3-thiazole
CID 13678551
5-Ethynyl-1,3-thiazole
CID 17875447
5-Ethylthiazole
CID 519456
2-Ethyl-5-methylthiazole
CID 519733
5-(Aminomethyl)-1,3-thiazole
CID 5304077
(1,3-Thiazol-5-yl)methanethiol
CID 4713119
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
5-(Methylthio)thiazole
CID 12264474
5-(Trifluoromethyl)-1,3-thiazole
CID 21750335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 5-methyl-2-methylsulfanyl-1,3-thiazole (CID 13378789) is 5-methyl-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-methylsulfanyl-1,3-thiazole is CSc1ncc(C)s1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-1,3-thiazole?
The InChIKey is WNQORAUJIPRIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h3H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-1,3-thiazole?
5-methyl-2-methylsulfanyl-1,3-thiazole has a molecular weight of 145.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 13378789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).