(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone

C18H18N4O2S — CID 97486526

IUPAC(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2S/c1-21-15(7-8-19-21)18(23)22-9-10-24-11-16(22)14-12-25-17(20-14)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3/t16-/m0/s1
InChIKeyCLJDHZHQCYYZNJ-INIZCTEOSA-N
MW354.44 g/mol
LogP2.76
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone

(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97486526) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
PubChem CID97486526
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCn1nccc1C(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2S/c1-21-15(7-8-19-21)18(23)22-9-10-24-11-16(22)14-12-25-17(20-14)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3/t16-/m0/s1
InChIKeyCLJDHZHQCYYZNJ-INIZCTEOSA-N
XLogP2.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131656933
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
2-[2-[4-(3-phenylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]phenyl]propanal
CID 174558777
4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119215956
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (CID 97486526) is (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is Cn1nccc1C(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is CLJDHZHQCYYZNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-21-15(7-8-19-21)18(23)22-9-10-24-11-16(22)14-12-25-17(20-14)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3/t16-/m0/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97486526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).