4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid

C11H16N4O3S — CID 90895817

IUPAC4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1ncc(C(=O)NCC2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C11H16N4O3S/c12-10-14-6-8(19-10)9(16)13-5-7-1-3-15(4-2-7)11(17)18/h6-7H,1-5H2,(H2,12,14)(H,13,16)(H,17,18)
InChIKeyQRQNMGWHRJFXIN-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.85
Rot. Bonds3

About 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid

4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 90895817) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID90895817
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1ncc(C(=O)NCC2CCN(C(=O)O)CC2)s1
InChIInChI=1S/C11H16N4O3S/c12-10-14-6-8(19-10)9(16)13-5-7-1-3-15(4-2-7)11(17)18/h6-7H,1-5H2,(H2,12,14)(H,13,16)(H,17,18)
InChIKeyQRQNMGWHRJFXIN-UHFFFAOYSA-N
XLogP0.85
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90706752
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
4-[5-[(1-benzoylpiperidin-4-yl)methylcarbamoyl]-1,3-thiazol-2-yl]benzoic acid
CID 142738667
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
2-amino-N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 166618679
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90775535
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
3-[[(6-chloro-1-benzothiophene-2-carbonyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 69106564
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 86648025
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid (CID 90895817) is 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid is Nc1ncc(C(=O)NCC2CCN(C(=O)O)CC2)s1.
What is the InChIKey of 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is QRQNMGWHRJFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-10-14-6-8(19-10)9(16)13-5-7-1-3-15(4-2-7)11(17)18/h6-7H,1-5H2,(H2,12,14)(H,13,16)(H,17,18).
What are the key properties of 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90895817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).