methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate

C13H19N3O4S — CID 167959574

IUPACmethyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCOC(=O)C1(O)CCN(C(=O)Nc2sc(C)nc2C)CC1
InChIInChI=1S/C13H19N3O4S/c1-8-10(21-9(2)14-8)15-12(18)16-6-4-13(19,5-7-16)11(17)20-3/h19H,4-7H2,1-3H3,(H,15,18)
InChIKeyBNPMXFKFENUSMV-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.29
Rot. Bonds2

About methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate

methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate (PubChem CID 167959574) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate
PubChem CID167959574
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCOC(=O)C1(O)CCN(C(=O)Nc2sc(C)nc2C)CC1
InChIInChI=1S/C13H19N3O4S/c1-8-10(21-9(2)14-8)15-12(18)16-6-4-13(19,5-7-16)11(17)20-3/h19H,4-7H2,1-3H3,(H,15,18)
InChIKeyBNPMXFKFENUSMV-UHFFFAOYSA-N
XLogP1.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(ethylamino)acetamide
CID 130685171
(4aS,7aS)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
CID 128911195
3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086847
(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
CID 127009505
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124108
2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120992010
(E)-N-(2,4-dimethyl-1,3-thiazol-5-yl)but-2-enamide
CID 131232611
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide
CID 120501910
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990994

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate (CID 167959574) is methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate is COC(=O)C1(O)CCN(C(=O)Nc2sc(C)nc2C)CC1.
What is the InChIKey of methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate?
The InChIKey is BNPMXFKFENUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-10(21-9(2)14-8)15-12(18)16-6-4-13(19,5-7-16)11(17)20-3/h19H,4-7H2,1-3H3,(H,15,18).
What are the key properties of methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate?
methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbamoyl]-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 167959574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).