N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

C14H23N3O3S — CID 48572194

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(COC)n1
InChIInChI=1S/C14H23N3O3S/c1-6-17(7-11(18)16-14(2,3)4)13(19)10-9-21-12(15-10)8-20-5/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyRQIFOSCLSYDSGM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.67
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 48572194) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID48572194
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(COC)n1
InChIInChI=1S/C14H23N3O3S/c1-6-17(7-11(18)16-14(2,3)4)13(19)10-9-21-12(15-10)8-20-5/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyRQIFOSCLSYDSGM-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (CID 48572194) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1csc(COC)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RQIFOSCLSYDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-6-17(7-11(18)16-14(2,3)4)13(19)10-9-21-12(15-10)8-20-5/h9H,6-8H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48572194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).