4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

C12H15N3O4S — CID 83192699

IUPAC4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCC(=O)NC2)sc1C(=O)O
InChIInChI=1S/C12H15N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-3-8(16)13-4-7/h7H,2-5H2,1H3,(H,13,16)(H,14,17)(H,18,19)
InChIKeyDWBWCOXNKPTPDH-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.29
Rot. Bonds4

About 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 83192699) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID83192699
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCC(=O)NC2)sc1C(=O)O
InChIInChI=1S/C12H15N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-3-8(16)13-4-7/h7H,2-5H2,1H3,(H,13,16)(H,14,17)(H,18,19)
InChIKeyDWBWCOXNKPTPDH-UHFFFAOYSA-N
XLogP0.29
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 106740056
4-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 104901151
4-methyl-2-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570173
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 122254077
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114429032
3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 83192490
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629010
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 83192699) is 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)C2CCC(=O)NC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is DWBWCOXNKPTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-3-8(16)13-4-7/h7H,2-5H2,1H3,(H,13,16)(H,14,17)(H,18,19).
What are the key properties of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83192699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).