1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C15H21N3O4S — CID 119235656

IUPAC1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1nc(C)c(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H21N3O4S/c1-9-13(23-10(2)16-9)14(20)17(3)8-12(19)18-6-4-11(5-7-18)15(21)22/h11H,4-8H2,1-3H3,(H,21,22)
InChIKeySSTNYINJFALGAB-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.16
Rot. Bonds4

About 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235656) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235656
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCc1nc(C)c(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H21N3O4S/c1-9-13(23-10(2)16-9)14(20)17(3)8-12(19)18-6-4-11(5-7-18)15(21)22/h11H,4-8H2,1-3H3,(H,21,22)
InChIKeySSTNYINJFALGAB-UHFFFAOYSA-N
XLogP1.16
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525452
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[methyl-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235770
1-[2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235762
1-[2-[methyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235962
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
N-[(2-hydroxycyclopentyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 109399763
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236286
1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236340

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119235656) is 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is Cc1nc(C)c(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is SSTNYINJFALGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-9-13(23-10(2)16-9)14(20)17(3)8-12(19)18-6-4-11(5-7-18)15(21)22/h11H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).