N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

C13H17N3O3S — CID 126833304

IUPACN-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1nsc(N(C)C(=O)COCC2CCCO2)c1C#N
InChIInChI=1S/C13H17N3O3S/c1-9-11(6-14)13(20-15-9)16(2)12(17)8-18-7-10-4-3-5-19-10/h10H,3-5,7-8H2,1-2H3
InChIKeyCXMXUULMPQOBBU-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.48
Rot. Bonds5

About N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 126833304) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID126833304
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1nsc(N(C)C(=O)COCC2CCCO2)c1C#N
InChIInChI=1S/C13H17N3O3S/c1-9-11(6-14)13(20-15-9)16(2)12(17)8-18-7-10-4-3-5-19-10/h10H,3-5,7-8H2,1-2H3
InChIKeyCXMXUULMPQOBBU-UHFFFAOYSA-N
XLogP1.48
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124749409
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
3-chloro-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 47357922
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
1,3-dimethyl-5-(oxolan-2-ylmethoxy)pyrazole-4-carbonitrile
CID 63751653
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (CID 126833304) is N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is Cc1nsc(N(C)C(=O)COCC2CCCO2)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is CXMXUULMPQOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-11(6-14)13(20-15-9)16(2)12(17)8-18-7-10-4-3-5-19-10/h10H,3-5,7-8H2,1-2H3.
What are the key properties of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 126833304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).