2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide

C13H21N3O2S — CID 83033855

IUPAC2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2CCOC(C)(C)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-8(14)12-16-10(7-19-12)11(17)15-9-4-5-18-13(2,3)6-9/h7-9H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyMALHOPJEDXXLSK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds3

About 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 83033855) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID83033855
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2CCOC(C)(C)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-8(14)12-16-10(7-19-12)11(17)15-9-4-5-18-13(2,3)6-9/h7-9H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyMALHOPJEDXXLSK-UHFFFAOYSA-N
XLogP1.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide (CID 83033855) is 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NC2CCOC(C)(C)C2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MALHOPJEDXXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8(14)12-16-10(7-19-12)11(17)15-9-4-5-18-13(2,3)6-9/h7-9H,4-6,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83033855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).