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

C11H17N3O2S — CID 62797681

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)NCC2CCCOC2)cs1
InChIInChI=1S/C11H17N3O2S/c12-11-14-9(7-17-11)4-10(15)13-5-8-2-1-3-16-6-8/h7-8H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyRMEQJXZYQYLRGY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.81
Rot. Bonds4

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

2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide (PubChem CID 62797681) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
PubChem CID62797681
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)NCC2CCCOC2)cs1
InChIInChI=1S/C11H17N3O2S/c12-11-14-9(7-17-11)4-10(15)13-5-8-2-1-3-16-6-8/h7-8H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyRMEQJXZYQYLRGY-UHFFFAOYSA-N
XLogP0.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62799816
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
2-(2-amino-1,3-thiazol-4-yl)-N-(2-cyclopentyloxyethyl)acetamide
CID 63827928
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106361462
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697927
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 62799959

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide (CID 62797681) is 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide is Nc1nc(CC(=O)NCC2CCCOC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is RMEQJXZYQYLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-14-9(7-17-11)4-10(15)13-5-8-2-1-3-16-6-8/h7-8H,1-6H2,(H2,12,14)(H,13,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 62797681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).