1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C12H17N3O4S — CID 122103065

IUPAC1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C12H17N3O4S/c1-7-3-8(10(16)17)6-15(5-7)12(18)14-11-13-4-9(19-2)20-11/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyYHSNGHXRTRAMRD-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.73
Rot. Bonds3

About 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103065) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103065
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C12H17N3O4S/c1-7-3-8(10(16)17)6-15(5-7)12(18)14-11-13-4-9(19-2)20-11/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H,13,14,18)
InChIKeyYHSNGHXRTRAMRD-UHFFFAOYSA-N
XLogP1.73
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103250
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103218
1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102165
5-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122101924
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
(2R)-N-(5-methoxy-1,3-thiazol-2-yl)-2-(methylsulfonylmethyl)morpholine-4-carboxamide
CID 164630740
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102647
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103065) is 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1.
What is the InChIKey of 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YHSNGHXRTRAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-7-3-8(10(16)17)6-15(5-7)12(18)14-11-13-4-9(19-2)20-11/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)(H,13,14,18).
What are the key properties of 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).