N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide

C11H18N2OS — CID 581987

IUPACN-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(C)=O)sc1C(C)CC
InChIInChI=1S/C11H18N2OS/c1-5-7(3)10-9(6-2)13-11(15-10)12-8(4)14/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZGRBTRZVSSQSMB-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.18
Rot. Bonds4

About N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide

N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 581987) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide
PubChem CID581987
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(C)=O)sc1C(C)CC
InChIInChI=1S/C11H18N2OS/c1-5-7(3)10-9(6-2)13-11(15-10)12-8(4)14/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZGRBTRZVSSQSMB-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide (CID 581987) is N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(C)=O)sc1C(C)CC.
What is the InChIKey of N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZGRBTRZVSSQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-5-7(3)10-9(6-2)13-11(15-10)12-8(4)14/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide?
N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 226.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-yl-4-ethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 581987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).