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

C11H14N2O3S — CID 18129999

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C11H14N2O3S/c1-7(2)8-6-17-11(12-8)13-10(14)9-5-15-3-4-16-9/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyKGJUJGRSHVQJHK-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.09
Rot. Bonds3

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

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18129999) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18129999
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C11H14N2O3S/c1-7(2)8-6-17-11(12-8)13-10(14)9-5-15-3-4-16-9/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyKGJUJGRSHVQJHK-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4560518
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24687231
5-methoxy-N-(4-methylthiazol-2-yl)-4-oxo-4H-pyran-2-carboxamide
CID 27378240
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78875330
2,2-difluoro-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 161557035
Ethyl 4-(2-propyl)thiazol-2-ylcarbamoylcarboxylate
CID 12831779
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
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-tert-butyl-1,3-thiazol-2-yl)-2-methoxyacetamide
CID 24657102

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18129999) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)c1csc(NC(=O)C2=COCCO2)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is KGJUJGRSHVQJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7(2)8-6-17-11(12-8)13-10(14)9-5-15-3-4-16-9/h5-7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18129999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).