2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

C20H22N4O2S — CID 71828066

IUPAC2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C20H22N4O2S/c1-13(25)21-15-7-5-8-17-14(15)10-11-24(17)12-19(26)23-20-22-16-6-3-2-4-9-18(16)27-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyDDRYBYZDJFFQOB-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide

2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 71828066) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
PubChem CID71828066
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C20H22N4O2S/c1-13(25)21-15-7-5-8-17-14(15)10-11-24(17)12-19(26)23-20-22-16-6-3-2-4-9-18(16)27-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyDDRYBYZDJFFQOB-UHFFFAOYSA-N
XLogP3.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71828007
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 56762950
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24604003
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 30376724
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453
2-(3-acetamidophenoxy)-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 30377211

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide (CID 71828066) is 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is DDRYBYZDJFFQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13(25)21-15-7-5-8-17-14(15)10-11-24(17)12-19(26)23-20-22-16-6-3-2-4-9-18(16)27-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide?
2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 71828066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).