1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid

C12H17N3O3S — CID 63123482

IUPAC1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-7-8(19-11(13)14-7)9(16)15-5-3-12(2,4-6-15)10(17)18/h3-6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyBNEFUMPFCNRMEW-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.36
Rot. Bonds2

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

1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123482) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123482
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-7-8(19-11(13)14-7)9(16)15-5-3-12(2,4-6-15)10(17)18/h3-6H2,1-2H3,(H2,13,14)(H,17,18)
InChIKeyBNEFUMPFCNRMEW-UHFFFAOYSA-N
XLogP1.36
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166142
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62793947
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 62793779
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63123482) is 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is Cc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is BNEFUMPFCNRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-8(19-11(13)14-7)9(16)15-5-3-12(2,4-6-15)10(17)18/h3-6H2,1-2H3,(H2,13,14)(H,17,18).
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).