N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide

C17H15N5OS — CID 71701878

IUPACN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccs1
InChIInChI=1S/C17H15N5OS/c23-16(14-6-3-9-24-14)20-17-19-15(21-22-17)8-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,9-10,18H,7-8H2,(H2,19,20,21,22,23)
InChIKeySQSGLEJOPRJSKE-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.38
Rot. Bonds5

About N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide

N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide (PubChem CID 71701878) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
PubChem CID71701878
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccs1
InChIInChI=1S/C17H15N5OS/c23-16(14-6-3-9-24-14)20-17-19-15(21-22-17)8-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,9-10,18H,7-8H2,(H2,19,20,21,22,23)
InChIKeySQSGLEJOPRJSKE-UHFFFAOYSA-N
XLogP3.38
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N-[5-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
CID 71701996
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
CID 113013820
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
CID 39757148
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 91638947
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801
N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51301479
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide (CID 71701878) is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide is O=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccs1.
What is the InChIKey of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
The InChIKey is SQSGLEJOPRJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c23-16(14-6-3-9-24-14)20-17-19-15(21-22-17)8-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,9-10,18H,7-8H2,(H2,19,20,21,22,23).
What are the key properties of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide?
N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71701878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).