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

C10H12N2O3S — CID 18084530

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1nc(NC(=O)C2=COCCO2)sc1C
InChIInChI=1S/C10H12N2O3S/c1-6-7(2)16-10(11-6)12-9(13)8-5-14-3-4-15-8/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyADASFDQHADHCHD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.59
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18084530) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18084530
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1nc(NC(=O)C2=COCCO2)sc1C
InChIInChI=1S/C10H12N2O3S/c1-6-7(2)16-10(11-6)12-9(13)8-5-14-3-4-15-8/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyADASFDQHADHCHD-UHFFFAOYSA-N
XLogP1.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 3329466
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4065102
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4195368
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684927
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17404336
N-(4-bromo-2,6-dimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60793250
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
CID 110699526
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 82344433
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17191166
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832159
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18084530) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1nc(NC(=O)C2=COCCO2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ADASFDQHADHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6-7(2)16-10(11-6)12-9(13)8-5-14-3-4-15-8/h5H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18084530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).