[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

C19H21N5O3S — CID 126788583

IUPAC[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(-n2nnc(C(=O)N3CCOCC3c3nc(C)cs3)c2C)cc1
InChIInChI=1S/C19H21N5O3S/c1-12-11-28-18(20-12)16-10-27-9-8-23(16)19(25)17-13(2)24(22-21-17)14-4-6-15(26-3)7-5-14/h4-7,11,16H,8-10H2,1-3H3
InChIKeyIBWCYZAGJXWVEV-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.56
Rot. Bonds4

About [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 126788583) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID126788583
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(-n2nnc(C(=O)N3CCOCC3c3nc(C)cs3)c2C)cc1
InChIInChI=1S/C19H21N5O3S/c1-12-11-28-18(20-12)16-10-27-9-8-23(16)19(25)17-13(2)24(22-21-17)14-4-6-15(26-3)7-5-14/h4-7,11,16H,8-10H2,1-3H3
InChIKeyIBWCYZAGJXWVEV-UHFFFAOYSA-N
XLogP2.56
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 126788583) is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is COc1ccc(-n2nnc(C(=O)N3CCOCC3c3nc(C)cs3)c2C)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is IBWCYZAGJXWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-12-11-28-18(20-12)16-10-27-9-8-23(16)19(25)17-13(2)24(22-21-17)14-4-6-15(26-3)7-5-14/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 399.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).