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

C12H10N2O3S2 — CID 4121648

IUPACN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)C1=COCCO1
InChIInChI=1S/C12H10N2O3S2/c15-11(9-6-16-3-4-17-9)14-12-13-8(7-19-12)10-2-1-5-18-10/h1-2,5-7H,3-4H2,(H,13,14,15)
InChIKeyAEXSXHFCXQDACF-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.70
Rot. Bonds3

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

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4121648) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4121648
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)C1=COCCO1
InChIInChI=1S/C12H10N2O3S2/c15-11(9-6-16-3-4-17-9)14-12-13-8(7-19-12)10-2-1-5-18-10/h1-2,5-7H,3-4H2,(H,13,14,15)
InChIKeyAEXSXHFCXQDACF-UHFFFAOYSA-N
XLogP2.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4121648) is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)C1=COCCO1.
What is the InChIKey of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is AEXSXHFCXQDACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c15-11(9-6-16-3-4-17-9)14-12-13-8(7-19-12)10-2-1-5-18-10/h1-2,5-7H,3-4H2,(H,13,14,15).
What are the key properties of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4121648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).