2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide

C14H23N3O2S — CID 83028924

IUPAC2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2csc(CN)n2)CCO1
InChIInChI=1S/C14H23N3O2S/c1-3-14(4-2)7-10(5-6-19-14)16-13(18)11-9-20-12(8-15)17-11/h9-10H,3-8,15H2,1-2H3,(H,16,18)
InChIKeyNZNYJIBOJIRWPP-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 83028924) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID83028924
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2csc(CN)n2)CCO1
InChIInChI=1S/C14H23N3O2S/c1-3-14(4-2)7-10(5-6-19-14)16-13(18)11-9-20-12(8-15)17-11/h9-10H,3-8,15H2,1-2H3,(H,16,18)
InChIKeyNZNYJIBOJIRWPP-UHFFFAOYSA-N
XLogP2.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide (CID 83028924) is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide is CCC1(CC)CC(NC(=O)c2csc(CN)n2)CCO1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NZNYJIBOJIRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-14(4-2)7-10(5-6-19-14)16-13(18)11-9-20-12(8-15)17-11/h9-10H,3-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83028924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).