2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone

C19H21ClN2O3S — CID 99715190

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@@H]1C1CC1
InChIInChI=1S/C19H21ClN2O3S/c20-14-3-5-16(6-4-14)25-11-18-21-15(12-26-18)9-19(23)22-7-8-24-10-17(22)13-1-2-13/h3-6,12-13,17H,1-2,7-11H2/t17-/m1/s1
InChIKeyOEIBQBXCSPYPON-QGZVFWFLSA-N
MW392.91 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone (PubChem CID 99715190) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone
PubChem CID99715190
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@@H]1C1CC1
InChIInChI=1S/C19H21ClN2O3S/c20-14-3-5-16(6-4-14)25-11-18-21-15(12-26-18)9-19(23)22-7-8-24-10-17(22)13-1-2-13/h3-6,12-13,17H,1-2,7-11H2/t17-/m1/s1
InChIKeyOEIBQBXCSPYPON-QGZVFWFLSA-N
XLogP3.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone (CID 99715190) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOC[C@@H]1C1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone?
The InChIKey is OEIBQBXCSPYPON-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-14-3-5-16(6-4-14)25-11-18-21-15(12-26-18)9-19(23)22-7-8-24-10-17(22)13-1-2-13/h3-6,12-13,17H,1-2,7-11H2/t17-/m1/s1.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone has a molecular weight of 392.91 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone is sourced from PubChem (CID 99715190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).