(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

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

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Related Compounds

[4-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51075742
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 34676483
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328
2-tert-butylmorpholine-4-carbonyl chloride
CID 165491195
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815921
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734846
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
[(2S)-2-tert-butylmorpholin-4-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 100739577
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564

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).