N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide

C16H20N2O2S2 — CID 110221796

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)C2CCOCC2)n1
InChIInChI=1S/C16H20N2O2S2/c1-11-10-22-16(17-11)14(9-13-3-2-8-21-13)18-15(19)12-4-6-20-7-5-12/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,18,19)
InChIKeyUEJWBZGCZLLJLL-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide (PubChem CID 110221796) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide
PubChem CID110221796
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)C2CCOCC2)n1
InChIInChI=1S/C16H20N2O2S2/c1-11-10-22-16(17-11)14(9-13-3-2-8-21-13)18-15(19)12-4-6-20-7-5-12/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,18,19)
InChIKeyUEJWBZGCZLLJLL-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide (CID 110221796) is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide is Cc1csc(C(Cc2cccs2)NC(=O)C2CCOCC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide?
The InChIKey is UEJWBZGCZLLJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-11-10-22-16(17-11)14(9-13-3-2-8-21-13)18-15(19)12-4-6-20-7-5-12/h2-3,8,10,12,14H,4-7,9H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide is sourced from PubChem (CID 110221796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).