N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide

C11H18N2O2S — CID 168788045

IUPACN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCOc1cc(CN(C)C(=O)C(C)(C)C)sn1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)10(14)13(4)7-8-6-9(15-5)12-16-8/h6H,7H2,1-5H3
InChIKeyKFGKSSBEEOQXCZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.16
Rot. Bonds3

About N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide

N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 168788045) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID168788045
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCOc1cc(CN(C)C(=O)C(C)(C)C)sn1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)10(14)13(4)7-8-6-9(15-5)12-16-8/h6H,7H2,1-5H3
InChIKeyKFGKSSBEEOQXCZ-UHFFFAOYSA-N
XLogP2.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide (CID 168788045) is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide is COc1cc(CN(C)C(=O)C(C)(C)C)sn1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is KFGKSSBEEOQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)10(14)13(4)7-8-6-9(15-5)12-16-8/h6H,7H2,1-5H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide?
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 242.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 168788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).