[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone

C14H24N4O2S — CID 102971716

IUPAC[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)17-13-16-11(15)10(21-13)12(19)18-7-5-6-9(8-18)20-4/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyCPMWNFMMEBCSHB-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.19
Rot. Bonds3

About [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102971716) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102971716
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)17-13-16-11(15)10(21-13)12(19)18-7-5-6-9(8-18)20-4/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyCPMWNFMMEBCSHB-UHFFFAOYSA-N
XLogP2.19
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone (CID 102971716) is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1.
What is the InChIKey of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is CPMWNFMMEBCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)17-13-16-11(15)10(21-13)12(19)18-7-5-6-9(8-18)20-4/h9H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone?
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102971716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).