N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide

C12H20N2O3S — CID 43037547

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)9-8-18-11(13-9)14-10(15)7-17-6-5-16-4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySXPLXZVFSJWBNE-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.04
Rot. Bonds6

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 43037547) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID43037547
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)9-8-18-11(13-9)14-10(15)7-17-6-5-16-4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySXPLXZVFSJWBNE-UHFFFAOYSA-N
XLogP2.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 4560518
CID 4560518
CID 588190
CID 588190
CID 57792389
CID 57792389
CID 110268129
CID 110268129
CID 110444179
CID 110444179
CID 857966
CID 857966
CID 166627625
CID 166627625
CID 857039
CID 857039
CID 45802599
CID 45802599
CID 78863568
CID 78863568
CID 78874132
CID 78874132
CID 78875330
CID 78875330

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide (CID 43037547) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is SXPLXZVFSJWBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,3)9-8-18-11(13-9)14-10(15)7-17-6-5-16-4/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 272.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 43037547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).