5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole

C9H15NS — CID 3085038

IUPAC5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1C
InChIInChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
InChIKeyAYEGWZGUAQDVNB-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.14
Rot. Bonds2

About 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole

5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole (PubChem CID 3085038) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
PubChem CID3085038
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1C
InChIInChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3
InChIKeyAYEGWZGUAQDVNB-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole (CID 3085038) is 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole is CCc1sc(C(C)C)nc1C.
What is the InChIKey of 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is AYEGWZGUAQDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-8-7(4)10-9(11-8)6(2)3/h6H,5H2,1-4H3.
What are the key properties of 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole?
5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 3085038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).