4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide

C12H19N3O2S — CID 103845803

IUPAC4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
SMILESCC(C)(NC(=O)C1(N)CCOCC1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-11(2,10-14-5-8-18-10)15-9(16)12(13)3-6-17-7-4-12/h5,8H,3-4,6-7,13H2,1-2H3,(H,15,16)
InChIKeyHFJGOTHCWUNPAD-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.00
Rot. Bonds3

About 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide

4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide (PubChem CID 103845803) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
PubChem CID103845803
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
SMILESCC(C)(NC(=O)C1(N)CCOCC1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-11(2,10-14-5-8-18-10)15-9(16)12(13)3-6-17-7-4-12/h5,8H,3-4,6-7,13H2,1-2H3,(H,15,16)
InChIKeyHFJGOTHCWUNPAD-UHFFFAOYSA-N
XLogP1.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
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2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
4-amino-N-pyrimidin-2-yloxane-4-carboxamide
CID 115293590
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
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CID 114130929
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide (CID 103845803) is 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide is CC(C)(NC(=O)C1(N)CCOCC1)c1nccs1.
What is the InChIKey of 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is HFJGOTHCWUNPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-11(2,10-14-5-8-18-10)15-9(16)12(13)3-6-17-7-4-12/h5,8H,3-4,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide?
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 103845803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).