2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide

C16H15N5OS — CID 110867138

IUPAC2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
SMILESCc1cn2nc(CNC(=O)Cc3c[nH]c4ccccc34)sc2n1
InChIInChI=1S/C16H15N5OS/c1-10-9-21-16(19-10)23-15(20-21)8-18-14(22)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,9,17H,6,8H2,1H3,(H,18,22)
InChIKeyDIJNIVXROAEJFY-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.44
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide

2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide (PubChem CID 110867138) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
PubChem CID110867138
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
SMILESCc1cn2nc(CNC(=O)Cc3c[nH]c4ccccc34)sc2n1
InChIInChI=1S/C16H15N5OS/c1-10-9-21-16(19-10)23-15(20-21)8-18-14(22)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,9,17H,6,8H2,1H3,(H,18,22)
InChIKeyDIJNIVXROAEJFY-UHFFFAOYSA-N
XLogP2.44
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indol-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746414
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110867045
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide (CID 110867138) is 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide is Cc1cn2nc(CNC(=O)Cc3c[nH]c4ccccc34)sc2n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide?
The InChIKey is DIJNIVXROAEJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-9-21-16(19-10)23-15(20-21)8-18-14(22)6-11-7-17-13-5-3-2-4-12(11)13/h2-5,7,9,17H,6,8H2,1H3,(H,18,22).
What are the key properties of 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide?
2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide has a molecular weight of 325.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110867138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).