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

C12H19N3O2S — CID 83032763

IUPAC2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2csc(CN)n2)CCO1
InChIInChI=1S/C12H19N3O2S/c1-12(2)5-8(3-4-17-12)14-11(16)9-7-18-10(6-13)15-9/h7-8H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyRNWURMJEWQQFHY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.29
Rot. Bonds3

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

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 83032763) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID83032763
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2csc(CN)n2)CCO1
InChIInChI=1S/C12H19N3O2S/c1-12(2)5-8(3-4-17-12)14-11(16)9-7-18-10(6-13)15-9/h7-8H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyRNWURMJEWQQFHY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide (CID 83032763) is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide is CC1(C)CC(NC(=O)c2csc(CN)n2)CCO1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RNWURMJEWQQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2)5-8(3-4-17-12)14-11(16)9-7-18-10(6-13)15-9/h7-8H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.29, 3 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-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83032763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).