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

C18H18N4O2S — CID 131656933

IUPAC(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCn1ccc(C(=O)N2CCOCC2c2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H18N4O2S/c1-21-8-7-14(20-21)18(23)22-9-10-24-11-16(22)15-12-25-17(19-15)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3
InChIKeySRVYVLNFKPWYRL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.76
Rot. Bonds3

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

(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (PubChem CID 131656933) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
PubChem CID131656933
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCn1ccc(C(=O)N2CCOCC2c2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H18N4O2S/c1-21-8-7-14(20-21)18(23)22-9-10-24-11-16(22)15-12-25-17(19-15)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3
InChIKeySRVYVLNFKPWYRL-UHFFFAOYSA-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

(2-methylpyrazol-3-yl)-[(3R)-3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97486526
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
2-[2-[4-(3-phenylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]phenyl]propanal
CID 174558777
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842614
4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119215956
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125150030
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (CID 131656933) is (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is Cn1ccc(C(=O)N2CCOCC2c2csc(-c3ccccc3)n2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is SRVYVLNFKPWYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-21-8-7-14(20-21)18(23)22-9-10-24-11-16(22)15-12-25-17(19-15)13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
(1-methylpyrazol-3-yl)-[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 (1-methylpyrazol-3-yl)-[3-(2-phenyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 131656933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).