(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone

C16H25N3O2S — CID 122157942

IUPAC(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone
SMILESCc1nsc(NC2CC2)c1C(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C16H25N3O2S/c1-10-13(14(22-18-10)17-11-5-6-11)15(20)19-7-8-21-12(9-19)16(2,3)4/h11-12,17H,5-9H2,1-4H3
InChIKeyWILGPDQLUWFKAO-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.91
Rot. Bonds3

About (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone

(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone (PubChem CID 122157942) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone
PubChem CID122157942
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone
SMILESCc1nsc(NC2CC2)c1C(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C16H25N3O2S/c1-10-13(14(22-18-10)17-11-5-6-11)15(20)19-7-8-21-12(9-19)16(2,3)4/h11-12,17H,5-9H2,1-4H3
InChIKeyWILGPDQLUWFKAO-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone?
The IUPAC name of (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone (CID 122157942) is (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone?
The canonical SMILES for (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone is Cc1nsc(NC2CC2)c1C(=O)N1CCOC(C(C)(C)C)C1.
What is the InChIKey of (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone?
The InChIKey is WILGPDQLUWFKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-10-13(14(22-18-10)17-11-5-6-11)15(20)19-7-8-21-12(9-19)16(2,3)4/h11-12,17H,5-9H2,1-4H3.
What are the key properties of (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone?
(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone has a molecular weight of 323.46 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 122157942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).