2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide

C11H17N3O2S — CID 120796696

IUPAC2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide
SMILESCn1ccs/c1=N\C(=O)C(N)C1CCOCC1
InChIInChI=1S/C11H17N3O2S/c1-14-4-7-17-11(14)13-10(15)9(12)8-2-5-16-6-3-8/h4,7-9H,2-3,5-6,12H2,1H3/b13-11-
InChIKeyZDOBOTGLTMPFND-QBFSEMIESA-N
MW255.34 g/mol
LogP0.27
Rot. Bonds2

About 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide

2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide (PubChem CID 120796696) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide
PubChem CID120796696
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide
SMILESCn1ccs/c1=N\C(=O)C(N)C1CCOCC1
InChIInChI=1S/C11H17N3O2S/c1-14-4-7-17-11(14)13-10(15)9(12)8-2-5-16-6-3-8/h4,7-9H,2-3,5-6,12H2,1H3/b13-11-
InChIKeyZDOBOTGLTMPFND-QBFSEMIESA-N
XLogP0.27
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide
CID 120937598
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 31288535
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
CID 131235703
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
CID 120796894

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide (CID 120796696) is 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide is Cn1ccs/c1=N\C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide?
The InChIKey is ZDOBOTGLTMPFND-QBFSEMIESA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-14-4-7-17-11(14)13-10(15)9(12)8-2-5-16-6-3-8/h4,7-9H,2-3,5-6,12H2,1H3/b13-11-.
What are the key properties of 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120796696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).