[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid

C21H22N4O4S — CID 166758785

IUPAC[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)N1CCC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H22N4O4S/c26-18(5-8-22-21(28)29)25-9-6-13(7-10-25)17-12-30-20(24-17)19(27)15-11-23-16-4-2-1-3-14(15)16/h1-4,11-13,22-23H,5-10H2,(H,28,29)
InChIKeyFDRJFVVWMCMDJZ-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.22
Rot. Bonds6

About [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid

[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid (PubChem CID 166758785) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid
PubChem CID166758785
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)N1CCC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H22N4O4S/c26-18(5-8-22-21(28)29)25-9-6-13(7-10-25)17-12-30-20(24-17)19(27)15-11-23-16-4-2-1-3-14(15)16/h1-4,11-13,22-23H,5-10H2,(H,28,29)
InChIKeyFDRJFVVWMCMDJZ-UHFFFAOYSA-N
XLogP3.22
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]-trimethylazanium
CID 156515501
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
[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
N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3734688
methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
CID 167179465
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 166765134
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid (CID 166758785) is [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid is O=C(O)NCCC(=O)N1CCC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid?
The InChIKey is FDRJFVVWMCMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-18(5-8-22-21(28)29)25-9-6-13(7-10-25)17-12-30-20(24-17)19(27)15-11-23-16-4-2-1-3-14(15)16/h1-4,11-13,22-23H,5-10H2,(H,28,29).
What are the key properties of [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid?
[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid has a molecular weight of 426.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 166758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).