2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid

C14H24N4O4S — CID 154908393

IUPAC2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid
SMILESNc1nc(C(=O)NCCCN2CCCCC2CO)cs1.O=CO
InChIInChI=1S/C13H22N4O2S.CH2O2/c14-13-16-11(9-20-13)12(19)15-5-3-7-17-6-2-1-4-10(17)8-18;2-1-3/h9-10,18H,1-8H2,(H2,14,16)(H,15,19);1H,(H,2,3)
InChIKeySGPWZHNELFLSEX-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.39
Rot. Bonds6

About 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid

2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid (PubChem CID 154908393) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid.

Molecular Properties

Compound Name2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid
PubChem CID154908393
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid
SMILESNc1nc(C(=O)NCCCN2CCCCC2CO)cs1.O=CO
InChIInChI=1S/C13H22N4O2S.CH2O2/c14-13-16-11(9-20-13)12(19)15-5-3-7-17-6-2-1-4-10(17)8-18;2-1-3/h9-10,18H,1-8H2,(H2,14,16)(H,15,19);1H,(H,2,3)
InChIKeySGPWZHNELFLSEX-UHFFFAOYSA-N
XLogP0.39
TPSA128.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid
CID 154908744
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
formic acid;N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-2-methylsulfanylacetamide
CID 154907108
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
3-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid
CID 161390762
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid?
The IUPAC name of 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid (CID 154908393) is 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid.
What is the SMILES notation for 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid?
The canonical SMILES for 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid is Nc1nc(C(=O)NCCCN2CCCCC2CO)cs1.O=CO.
What is the InChIKey of 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid?
The InChIKey is SGPWZHNELFLSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.CH2O2/c14-13-16-11(9-20-13)12(19)15-5-3-7-17-6-2-1-4-10(17)8-18;2-1-3/h9-10,18H,1-8H2,(H2,14,16)(H,15,19);1H,(H,2,3).
What are the key properties of 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid?
2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid has a molecular weight of 344.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid is sourced from PubChem (CID 154908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).