1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one

C10H15NOS — CID 63199048

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
SMILESCCc1csc(CC(=O)C(C)C)n1
InChIInChI=1S/C10H15NOS/c1-4-8-6-13-10(11-8)5-9(12)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDQCHTRPZDYPOTJ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.47
Rot. Bonds4

About 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one

1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one (PubChem CID 63199048) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
PubChem CID63199048
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
SMILESCCc1csc(CC(=O)C(C)C)n1
InChIInChI=1S/C10H15NOS/c1-4-8-6-13-10(11-8)5-9(12)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDQCHTRPZDYPOTJ-UHFFFAOYSA-N
XLogP2.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
1-(4-ethyl-1,3-thiazol-2-yl)butan-2-ol
CID 63201551
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
CID 171049245
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate
CID 144562162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one (CID 63199048) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one is CCc1csc(CC(=O)C(C)C)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one?
The InChIKey is DQCHTRPZDYPOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-8-6-13-10(11-8)5-9(12)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one?
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one is sourced from PubChem (CID 63199048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).