1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one

C11H17NOS — CID 118396881

IUPAC1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
SMILESCCC(CC)c1nc(CC(C)=O)cs1
InChIInChI=1S/C11H17NOS/c1-4-9(5-2)11-12-10(7-14-11)6-8(3)13/h7,9H,4-6H2,1-3H3
InChIKeyNLAVQUAADMYIIM-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one

1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 118396881) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
PubChem CID118396881
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
SMILESCCC(CC)c1nc(CC(C)=O)cs1
InChIInChI=1S/C11H17NOS/c1-4-9(5-2)11-12-10(7-14-11)6-8(3)13/h7,9H,4-6H2,1-3H3
InChIKeyNLAVQUAADMYIIM-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one
CID 83876844
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
2-[2-(1-hydroxyhexadecyl)-1,3-thiazol-4-yl]acetic acid
CID 123466520
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one (CID 118396881) is 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one is CCC(CC)c1nc(CC(C)=O)cs1.
What is the InChIKey of 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is NLAVQUAADMYIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-9(5-2)11-12-10(7-14-11)6-8(3)13/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one?
1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 211.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 118396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).