N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H16N2O3S — CID 4560518

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)9-7-18-11(13-9)14-10(15)8-6-16-4-5-17-8/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyVMEJSONGAXKRKA-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.27
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4560518) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4560518
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)9-7-18-11(13-9)14-10(15)8-6-16-4-5-17-8/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyVMEJSONGAXKRKA-UHFFFAOYSA-N
XLogP2.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24687231
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylmorpholine-2-carboxamide
CID 110268129
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexyloxyacetamide
CID 166627625
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874132
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78875330
Ethyl 4-(2-methyl-2-propyl)thiazol-2-ylcarbamoylcarboxylate
CID 3452736
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide
CID 43037547
N-(4-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethoxy)acetamide
CID 88564798
Ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 4171860
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18084530
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18129999
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxyacetamide
CID 24657102

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4560518) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)(C)c1csc(NC(=O)C2=COCCO2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VMEJSONGAXKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2,3)9-7-18-11(13-9)14-10(15)8-6-16-4-5-17-8/h6-7H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 2.27, 2 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)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).