1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

C17H18N2O4S — CID 154743864

IUPAC1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)N2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C17H18N2O4S/c1-23-14-5-3-2-4-12(14)15-18-13(10-24-15)16(20)19-8-6-11(7-9-19)17(21)22/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyHPQHGTAMXLUKQI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.76
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 154743864) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID154743864
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)N2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C17H18N2O4S/c1-23-14-5-3-2-4-12(14)15-18-13(10-24-15)16(20)19-8-6-11(7-9-19)17(21)22/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyHPQHGTAMXLUKQI-UHFFFAOYSA-N
XLogP2.76
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 49074984
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
(2S,3aS,7aR)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125153216
(3R)-2-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124685059
1-[(3S)-4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 166411179
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (CID 154743864) is 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is COc1ccccc1-c1nc(C(=O)N2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is HPQHGTAMXLUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-23-14-5-3-2-4-12(14)15-18-13(10-24-15)16(20)19-8-6-11(7-9-19)17(21)22/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154743864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).