(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

C13H19N3O3S — CID 81119979

IUPAC(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1nc(NC(=O)N2CCC[C@@H](C(=O)O)C2)sc1C
InChIInChI=1S/C13H19N3O3S/c1-3-10-8(2)20-12(14-10)15-13(19)16-6-4-5-9(7-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,14,15,19)/t9-/m1/s1
InChIKeyCIKOMSQDXZOKJK-SECBINFHSA-N
MW297.38 g/mol
LogP2.34
Rot. Bonds3

About (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119979) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81119979
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCc1nc(NC(=O)N2CCC[C@@H](C(=O)O)C2)sc1C
InChIInChI=1S/C13H19N3O3S/c1-3-10-8(2)20-12(14-10)15-13(19)16-6-4-5-9(7-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,14,15,19)/t9-/m1/s1
InChIKeyCIKOMSQDXZOKJK-SECBINFHSA-N
XLogP2.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092118
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042646
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085919
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81119979) is (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is CCc1nc(NC(=O)N2CCC[C@@H](C(=O)O)C2)sc1C.
What is the InChIKey of (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CIKOMSQDXZOKJK-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-10-8(2)20-12(14-10)15-13(19)16-6-4-5-9(7-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,14,15,19)/t9-/m1/s1.
What are the key properties of (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).