N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine

C14H18N2O3S2 — CID 71861028

IUPACN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine
SMILESCN(Cc1csc(-c2ccoc2)n1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H18N2O3S2/c1-16(13-3-6-21(17,18)7-4-13)8-12-10-20-14(15-12)11-2-5-19-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3
InChIKeyGEIUNGARZXHTDT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds4

About N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine

N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine (PubChem CID 71861028) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine
PubChem CID71861028
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine
SMILESCN(Cc1csc(-c2ccoc2)n1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H18N2O3S2/c1-16(13-3-6-21(17,18)7-4-13)8-12-10-20-14(15-12)11-2-5-19-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3
InChIKeyGEIUNGARZXHTDT-UHFFFAOYSA-N
XLogP2.41
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine (CID 71861028) is N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine is CN(Cc1csc(-c2ccoc2)n1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is GEIUNGARZXHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-16(13-3-6-21(17,18)7-4-13)8-12-10-20-14(15-12)11-2-5-19-9-11/h2,5,9-10,13H,3-4,6-8H2,1H3.
What are the key properties of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine?
N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 71861028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).