N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide

C16H14N4OS — CID 110867045

IUPACN-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1csc2nccn12
InChIInChI=1S/C16H14N4OS/c21-15(7-11-8-18-14-4-2-1-3-13(11)14)19-9-12-10-22-16-17-5-6-20(12)16/h1-6,8,10,18H,7,9H2,(H,19,21)
InChIKeyQSYWICCXTYSLCB-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.74
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide

N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 110867045) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
PubChem CID110867045
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1csc2nccn12
InChIInChI=1S/C16H14N4OS/c21-15(7-11-8-18-14-4-2-1-3-13(11)14)19-9-12-10-22-16-17-5-6-20(12)16/h1-6,8,10,18H,7,9H2,(H,19,21)
InChIKeyQSYWICCXTYSLCB-UHFFFAOYSA-N
XLogP2.74
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
CID 110867138
2-(1H-indol-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746414
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258
2-(1H-indol-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775067
N-imidazo[1,2-a]pyridin-8-yl-2-(1H-indol-3-yl)acetamide
CID 110745727
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-[(1R)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 171906863
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide (CID 110867045) is N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1csc2nccn12.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is QSYWICCXTYSLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(7-11-8-18-14-4-2-1-3-13(11)14)19-9-12-10-22-16-17-5-6-20(12)16/h1-6,8,10,18H,7,9H2,(H,19,21).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide?
N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 110867045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).