2-ethyl-4-methyl-1,3-thiazole

C6H9NS — CID 27440

IUPAC2-ethyl-4-methyl-1,3-thiazole
SMILESCCc1nc(C)cs1
InChIInChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChIKeyVGRVKVGGUPOCMT-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.01
Rot. Bonds1

About 2-ethyl-4-methyl-1,3-thiazole

2-ethyl-4-methyl-1,3-thiazole (PubChem CID 27440) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,3-thiazole
PubChem CID27440
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-ethyl-4-methyl-1,3-thiazole
SMILESCCc1nc(C)cs1
InChIInChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChIKeyVGRVKVGGUPOCMT-UHFFFAOYSA-N
XLogP2.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868028
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043119
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium
CID 7175910

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-ethyl-4-methyl-1,3-thiazole (CID 27440) is 2-ethyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-methyl-1,3-thiazole is CCc1nc(C)cs1.
What is the InChIKey of 2-ethyl-4-methyl-1,3-thiazole?
The InChIKey is VGRVKVGGUPOCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1,3-thiazole?
2-ethyl-4-methyl-1,3-thiazole has a molecular weight of 127.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 27440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).