N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide

C21H27N5O2S — CID 86962624

IUPACN,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)(C)c3nccs3)ccc21
InChIInChI=1S/C21H27N5O2S/c1-5-25(6-2)18(27)14-26-11-9-15-13-16(7-8-17(15)26)23-20(28)24-21(3,4)19-22-10-12-29-19/h7-13H,5-6,14H2,1-4H3,(H2,23,24,28)
InChIKeyMVYVMOWCLUDBPY-UHFFFAOYSA-N
MW413.55 g/mol
LogP4.02
Rot. Bonds7

About N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide

N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide (PubChem CID 86962624) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
PubChem CID86962624
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC NameN,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)(C)c3nccs3)ccc21
InChIInChI=1S/C21H27N5O2S/c1-5-25(6-2)18(27)14-26-11-9-15-13-16(7-8-17(15)26)23-20(28)24-21(3,4)19-22-10-12-29-19/h7-13H,5-6,14H2,1-4H3,(H2,23,24,28)
InChIKeyMVYVMOWCLUDBPY-UHFFFAOYSA-N
XLogP4.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86885257

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide (CID 86962624) is N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)(C)c3nccs3)ccc21.
What is the InChIKey of N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide?
The InChIKey is MVYVMOWCLUDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-5-25(6-2)18(27)14-26-11-9-15-13-16(7-8-17(15)26)23-20(28)24-21(3,4)19-22-10-12-29-19/h7-13H,5-6,14H2,1-4H3,(H2,23,24,28).
What are the key properties of N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide?
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide has a molecular weight of 413.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 86962624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).