2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C17H15N5OS — CID 122275829

IUPAC2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C17H15N5OS/c23-17(7-12-8-18-16-4-2-1-3-15(12)16)19-9-13-10-22(21-20-13)14-5-6-24-11-14/h1-6,8,10-11,18H,7,9H2,(H,19,23)
InChIKeyVPAZGLLZRRXQRM-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.67
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275829) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275829
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C17H15N5OS/c23-17(7-12-8-18-16-4-2-1-3-15(12)16)19-9-13-10-22(21-20-13)14-5-6-24-11-14/h1-6,8,10-11,18H,7,9H2,(H,19,23)
InChIKeyVPAZGLLZRRXQRM-UHFFFAOYSA-N
XLogP2.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275792
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275712
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
1-quinolin-5-yl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275943
4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
CID 122275716
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[2,1-b][1,3]thiazol-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110867045
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46470417
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275829) is 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is VPAZGLLZRRXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c23-17(7-12-8-18-16-4-2-1-3-15(12)16)19-9-13-10-22(21-20-13)14-5-6-24-11-14/h1-6,8,10-11,18H,7,9H2,(H,19,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 2.67, 5 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-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).