4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid

C19H22N2O3S — CID 119186414

IUPAC4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
SMILESCC(C)c1csc(C2CCCN(C(=O)c3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C19H22N2O3S/c1-12(2)16-11-25-17(20-16)15-4-3-9-21(10-15)18(22)13-5-7-14(8-6-13)19(23)24/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyFJVLFYDMVUSBQS-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.98
Rot. Bonds4

About 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid

4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid (PubChem CID 119186414) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
PubChem CID119186414
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
SMILESCC(C)c1csc(C2CCCN(C(=O)c3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C19H22N2O3S/c1-12(2)16-11-25-17(20-16)15-4-3-9-21(10-15)18(22)13-5-7-14(8-6-13)19(23)24/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyFJVLFYDMVUSBQS-UHFFFAOYSA-N
XLogP3.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
3-fluoro-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 164642848
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 95777712
2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650
morpholin-3-yl-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119893105
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777723
2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136550586

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid (CID 119186414) is 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid is CC(C)c1csc(C2CCCN(C(=O)c3ccc(C(=O)O)cc3)C2)n1.
What is the InChIKey of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is FJVLFYDMVUSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12(2)16-11-25-17(20-16)15-4-3-9-21(10-15)18(22)13-5-7-14(8-6-13)19(23)24/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,23,24).
What are the key properties of 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 358.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 119186414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).