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

C12H19N3O2S — CID 113280718

IUPAC4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(C)c1csc(NC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-8(2)9-7-18-11(14-9)15-10(16)12(13)3-5-17-6-4-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyICICTRBQHQGVSN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.71
Rot. Bonds3

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

4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 113280718) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID113280718
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(C)c1csc(NC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-8(2)9-7-18-11(14-9)15-10(16)12(13)3-5-17-6-4-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyICICTRBQHQGVSN-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 113280718) is 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is CC(C)c1csc(NC(=O)C2(N)CCOCC2)n1.
What is the InChIKey of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is ICICTRBQHQGVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(2)9-7-18-11(14-9)15-10(16)12(13)3-5-17-6-4-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 113280718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).