N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide

C13H13N3OS — CID 2117354

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1=NCCS1
InChIInChI=1S/C13H13N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16,17)
InChIKeyARMIADJIADGLFS-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.93
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 2117354) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID2117354
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1=NCCS1
InChIInChI=1S/C13H13N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16,17)
InChIKeyARMIADJIADGLFS-UHFFFAOYSA-N
XLogP1.93
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 126852042
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 10383237
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093
N-(2,6-difluoro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 103097670
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 2117354) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is ARMIADJIADGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 259.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2117354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).