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

C10H13N3O3S — CID 79401905

IUPAC3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CCCNC2=O)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-7(10(15)16)9(17-13-5)12-6-3-2-4-11-8(6)14/h6,12H,2-4H2,1H3,(H,11,14)(H,15,16)
InChIKeySYLLHKJNKIQHGU-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.84
Rot. Bonds3

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

3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79401905) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79401905
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2CCCNC2=O)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-7(10(15)16)9(17-13-5)12-6-3-2-4-11-8(6)14/h6,12H,2-4H2,1H3,(H,11,14)(H,15,16)
InChIKeySYLLHKJNKIQHGU-UHFFFAOYSA-N
XLogP0.84
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
CID 79363726
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
CID 79364110
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
3-methyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]-1,2-thiazole-4-carboxylic acid
CID 103968589
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402308
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 79402732
2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
CID 62093627
3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 107415757
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid (CID 79401905) is 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC2CCCNC2=O)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is SYLLHKJNKIQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-7(10(15)16)9(17-13-5)12-6-3-2-4-11-8(6)14/h6,12H,2-4H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79401905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).