N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide

C13H20N2O2S — CID 13197230

IUPACN-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCC1(C)CC(c2csc(NC(C)=O)n2)CCO1
InChIInChI=1S/C13H20N2O2S/c1-4-13(3)7-10(5-6-17-13)11-8-18-12(15-11)14-9(2)16/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYTPMXIQWRFIFOR-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.16
Rot. Bonds3

About N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 13197230) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID13197230
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCC1(C)CC(c2csc(NC(C)=O)n2)CCO1
InChIInChI=1S/C13H20N2O2S/c1-4-13(3)7-10(5-6-17-13)11-8-18-12(15-11)14-9(2)16/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYTPMXIQWRFIFOR-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Propyl-tetrahydro-pyran-4-yl)-thiazol-2-ylamine
CID 581496
2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CID 649965
Stk831378
CID 2833394
4-(2,2-Dimethyloxan-4-yl)-1,3-thiazol-2-amine
CID 648091
N-(4-cyclohexylthiazol-2-yl)propionamide
CID 5141035
N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 38108187
4-((2S)-2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)thiazol-2-amine
CID 16397086
N-(4-cyclohexylthiazol-2-yl)acetamide
CID 5155363
N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 128758666
N-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 25004713
N-[4-[2-(4,6-dioxo-2-propan-2-yloxan-2-yl)ethyl]-1,3-thiazol-2-yl]acetamide
CID 53880125
N-(4-cyclohexyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 58563900

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide (CID 13197230) is N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide is CCC1(C)CC(c2csc(NC(C)=O)n2)CCO1.
What is the InChIKey of N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YTPMXIQWRFIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-13(3)7-10(5-6-17-13)11-8-18-12(15-11)14-9(2)16/h8,10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 13197230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).