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

C13H22N4O2S — CID 66378238

IUPAC2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(N(CCO)C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-4-2-10(3-5-16)17(6-7-18)13(19)11-9-20-12(8-14)15-11/h9-10,18H,2-8,14H2,1H3
InChIKeyYLTRGEPVDOQJSV-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.13
Rot. Bonds5

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

2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66378238) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID66378238
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(N(CCO)C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-4-2-10(3-5-16)17(6-7-18)13(19)11-9-20-12(8-14)15-11/h9-10,18H,2-8,14H2,1H3
InChIKeyYLTRGEPVDOQJSV-UHFFFAOYSA-N
XLogP0.13
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102861928
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 66376837
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119805648
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 66378238) is 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CN1CCC(N(CCO)C(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YLTRGEPVDOQJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16-4-2-10(3-5-16)17(6-7-18)13(19)11-9-20-12(8-14)15-11/h9-10,18H,2-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).