(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C14H16N2O2S2 — CID 35021811

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3cccs3)n2)CCO1
InChIInChI=1S/C14H16N2O2S2/c1-14(2)9-16(5-6-18-14)13(17)10-8-20-12(15-10)11-4-3-7-19-11/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyRCMYSYJGJSWWFE-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.12
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 35021811) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID35021811
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3cccs3)n2)CCO1
InChIInChI=1S/C14H16N2O2S2/c1-14(2)9-16(5-6-18-14)13(17)10-8-20-12(15-10)11-4-3-7-19-11/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyRCMYSYJGJSWWFE-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 35021811) is (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2csc(-c3cccs3)n2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is RCMYSYJGJSWWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-14(2)9-16(5-6-18-14)13(17)10-8-20-12(15-10)11-4-3-7-19-11/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 35021811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).