ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

C19H22N4O2S — CID 60529056

IUPACethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C19H22N4O2S/c1-2-25-19(24)23-9-7-13(8-10-23)21-18-22-17(12-26-18)15-11-20-16-6-4-3-5-14(15)16/h3-6,11-13,20H,2,7-10H2,1H3,(H,21,22)
InChIKeySGZIBWNMUJDLHJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.32
Rot. Bonds4

About ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 60529056) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID60529056
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Nameethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C19H22N4O2S/c1-2-25-19(24)23-9-7-13(8-10-23)21-18-22-17(12-26-18)15-11-20-16-6-4-3-5-14(15)16/h3-6,11-13,20H,2,7-10H2,1H3,(H,21,22)
InChIKeySGZIBWNMUJDLHJ-UHFFFAOYSA-N
XLogP4.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 47037417
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820043
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
ethyl 4-[[4-[4-(2-acetamidoethyl)-3-fluorophenyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 60528992
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (CID 60529056) is ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1.
What is the InChIKey of ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is SGZIBWNMUJDLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-2-25-19(24)23-9-7-13(8-10-23)21-18-22-17(12-26-18)15-11-20-16-6-4-3-5-14(15)16/h3-6,11-13,20H,2,7-10H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 370.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 60529056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).