1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid

C13H19N3O3S — CID 103243298

IUPAC1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CNCC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-9-15-7-11(20-9)6-14-8-12(17)16-4-2-10(3-5-16)13(18)19/h7,10,14H,2-6,8H2,1H3,(H,18,19)
InChIKeyZAFHWIHWARESCY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.86
Rot. Bonds5

About 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103243298) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID103243298
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CNCC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-9-15-7-11(20-9)6-14-8-12(17)16-4-2-10(3-5-16)13(18)19/h7,10,14H,2-6,8H2,1H3,(H,18,19)
InChIKeyZAFHWIHWARESCY-UHFFFAOYSA-N
XLogP0.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate
CID 103243299
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
CID 110836103
2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 86778928
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106036897
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid (CID 103243298) is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid is Cc1ncc(CNCC(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZAFHWIHWARESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-15-7-11(20-9)6-14-8-12(17)16-4-2-10(3-5-16)13(18)19/h7,10,14H,2-6,8H2,1H3,(H,18,19).
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103243298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).