(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C15H21N5O2S — CID 129338537

IUPAC(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@@H]1CN(C(=O)c2scnc2C(C)(C)C)CCO1
InChIInChI=1S/C15H21N5O2S/c1-15(2,3)12-11(23-9-16-12)14(21)20-5-6-22-10(7-20)13-18-17-8-19(13)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyUQVCGRUEKSONKH-JTQLQIEISA-N
MW335.43 g/mol
LogP1.78
Rot. Bonds2

About (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129338537) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129338537
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1[C@@H]1CN(C(=O)c2scnc2C(C)(C)C)CCO1
InChIInChI=1S/C15H21N5O2S/c1-15(2,3)12-11(23-9-16-12)14(21)20-5-6-22-10(7-20)13-18-17-8-19(13)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyUQVCGRUEKSONKH-JTQLQIEISA-N
XLogP1.78
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129338537) is (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cn1cnnc1[C@@H]1CN(C(=O)c2scnc2C(C)(C)C)CCO1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is UQVCGRUEKSONKH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-15(2,3)12-11(23-9-16-12)14(21)20-5-6-22-10(7-20)13-18-17-8-19(13)4/h8-10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 335.43 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129338537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).