(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C14H16N2O2S2 — CID 56811758

IUPAC(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(-c3ccsc3)n2)C(C)CO1
InChIInChI=1S/C14H16N2O2S2/c1-9-6-18-10(2)5-16(9)14(17)12-8-20-13(15-12)11-3-4-19-7-11/h3-4,7-10H,5-6H2,1-2H3
InChIKeyAMTPVOARFAKGHQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.12
Rot. Bonds2

About (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 56811758) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID56811758
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(-c3ccsc3)n2)C(C)CO1
InChIInChI=1S/C14H16N2O2S2/c1-9-6-18-10(2)5-16(9)14(17)12-8-20-13(15-12)11-3-4-19-7-11/h3-4,7-10H,5-6H2,1-2H3
InChIKeyAMTPVOARFAKGHQ-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 (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 56811758) is (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is CC1CN(C(=O)c2csc(-c3ccsc3)n2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is AMTPVOARFAKGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-9-6-18-10(2)5-16(9)14(17)12-8-20-13(15-12)11-3-4-19-7-11/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-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 (2,5-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56811758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).