4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid

C18H17N3O3S — CID 166758790

IUPAC4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
SMILESO=C(c1nc(C2CCN(C(=O)O)CC2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3S/c22-16(13-9-19-14-4-2-1-3-12(13)14)17-20-15(10-25-17)11-5-7-21(8-6-11)18(23)24/h1-4,9-11,19H,5-8H2,(H,23,24)
InChIKeyCELHBPLZODTPHQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.71
Rot. Bonds3

About 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid

4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid (PubChem CID 166758790) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
PubChem CID166758790
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
SMILESO=C(c1nc(C2CCN(C(=O)O)CC2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3S/c22-16(13-9-19-14-4-2-1-3-12(13)14)17-20-15(10-25-17)11-5-7-21(8-6-11)18(23)24/h1-4,9-11,19H,5-8H2,(H,23,24)
InChIKeyCELHBPLZODTPHQ-UHFFFAOYSA-N
XLogP3.71
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid
CID 166758785
[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]-trimethylazanium
CID 156515501
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
CID 167179465
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 135976063
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 43981443
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid (CID 166758790) is 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid is O=C(c1nc(C2CCN(C(=O)O)CC2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid?
The InChIKey is CELHBPLZODTPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-16(13-9-19-14-4-2-1-3-12(13)14)17-20-15(10-25-17)11-5-7-21(8-6-11)18(23)24/h1-4,9-11,19H,5-8H2,(H,23,24).
What are the key properties of 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid?
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 166758790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).