[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

C18H19N5O2S — CID 126795570

IUPAC[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCOCC3c3nc(C)cs3)nn2)cc1
InChIInChI=1S/C18H19N5O2S/c1-12-3-5-14(6-4-12)23-9-15(20-21-23)18(24)22-7-8-25-10-16(22)17-19-13(2)11-26-17/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyWOOQOGWASUYZNH-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.55
Rot. Bonds3

About [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 126795570) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID126795570
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCOCC3c3nc(C)cs3)nn2)cc1
InChIInChI=1S/C18H19N5O2S/c1-12-3-5-14(6-4-12)23-9-15(20-21-23)18(24)22-7-8-25-10-16(22)17-19-13(2)11-26-17/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyWOOQOGWASUYZNH-UHFFFAOYSA-N
XLogP2.55
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 126795570) is [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is Cc1ccc(-n2cc(C(=O)N3CCOCC3c3nc(C)cs3)nn2)cc1.
What is the InChIKey of [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is WOOQOGWASUYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-3-5-14(6-4-12)23-9-15(20-21-23)18(24)22-7-8-25-10-16(22)17-19-13(2)11-26-17/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126795570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).