2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

C22H29N5O2S — CID 86900793

IUPAC2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCCc3sc(C)nc3C)ccc21
InChIInChI=1S/C22H29N5O2S/c1-5-26(6-2)21(28)14-27-12-10-17-13-18(7-8-19(17)27)25-22(29)23-11-9-20-15(3)24-16(4)30-20/h7-8,10,12-13H,5-6,9,11,14H2,1-4H3,(H2,23,25,29)
InChIKeyWXFKFEVLPVSQPL-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.95
Rot. Bonds8

About 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (PubChem CID 86900793) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
PubChem CID86900793
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCCc3sc(C)nc3C)ccc21
InChIInChI=1S/C22H29N5O2S/c1-5-26(6-2)21(28)14-27-12-10-17-13-18(7-8-19(17)27)25-22(29)23-11-9-20-15(3)24-16(4)30-20/h7-8,10,12-13H,5-6,9,11,14H2,1-4H3,(H2,23,25,29)
InChIKeyWXFKFEVLPVSQPL-UHFFFAOYSA-N
XLogP3.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.95
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
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
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]-5-fluoro-2-methylbenzamide
CID 86874773
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
CID 86962624
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
CID 56566221
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (CID 86900793) is 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCCc3sc(C)nc3C)ccc21.
What is the InChIKey of 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The InChIKey is WXFKFEVLPVSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-5-26(6-2)21(28)14-27-12-10-17-13-18(7-8-19(17)27)25-22(29)23-11-9-20-15(3)24-16(4)30-20/h7-8,10,12-13H,5-6,9,11,14H2,1-4H3,(H2,23,25,29).
What are the key properties of 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide has a molecular weight of 427.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 86900793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).