2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C11H17N3O3S — CID 66388723

IUPAC2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2COCCO2)cs1
InChIInChI=1S/C11H17N3O3S/c1-7(12)11-14-9(6-18-11)10(15)13-4-8-5-16-2-3-17-8/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeySKNYLUHDRLEREA-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.31
Rot. Bonds4

About 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388723) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388723
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2COCCO2)cs1
InChIInChI=1S/C11H17N3O3S/c1-7(12)11-14-9(6-18-11)10(15)13-4-8-5-16-2-3-17-8/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeySKNYLUHDRLEREA-UHFFFAOYSA-N
XLogP0.31
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388405
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160317
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
N-(1,4-dioxan-2-ylmethyl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 49381396
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433669
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66388723) is 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NCC2COCCO2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SKNYLUHDRLEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(12)11-14-9(6-18-11)10(15)13-4-8-5-16-2-3-17-8/h6-8H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).