(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

C14H18N4O2S — CID 56814924

IUPAC(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CCO1
InChIInChI=1S/C14H18N4O2S/c1-3-11-8-18(4-5-20-11)14(19)12-9-21-13(16-12)10-6-15-17(2)7-10/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyQIOLQUYUVYRXIX-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.79
Rot. Bonds3

About (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 56814924) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
PubChem CID56814924
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CCO1
InChIInChI=1S/C14H18N4O2S/c1-3-11-8-18(4-5-20-11)14(19)12-9-21-13(16-12)10-6-15-17(2)7-10/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyQIOLQUYUVYRXIX-UHFFFAOYSA-N
XLogP1.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (CID 56814924) is (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is CCC1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is QIOLQUYUVYRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-11-8-18(4-5-20-11)14(19)12-9-21-13(16-12)10-6-15-17(2)7-10/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
(2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 306.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).