2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide

C13H21N3OS — CID 112701971

IUPAC2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCc1cnc(C(C)NC(=O)CC2(N)CCC2)s1
InChIInChI=1S/C13H21N3OS/c1-3-10-8-15-12(18-10)9(2)16-11(17)7-13(14)5-4-6-13/h8-9H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyKVHIYWABQWVAGO-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.15
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide

2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 112701971) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID112701971
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCc1cnc(C(C)NC(=O)CC2(N)CCC2)s1
InChIInChI=1S/C13H21N3OS/c1-3-10-8-15-12(18-10)9(2)16-11(17)7-13(14)5-4-6-13/h8-9H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyKVHIYWABQWVAGO-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 64686366
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627994
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 112701971) is 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide is CCc1cnc(C(C)NC(=O)CC2(N)CCC2)s1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is KVHIYWABQWVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-10-8-15-12(18-10)9(2)16-11(17)7-13(14)5-4-6-13/h8-9H,3-7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 112701971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).