N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

C16H17N5OS — CID 92562309

IUPACN-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cncn1
InChIInChI=1S/C16H17N5OS/c1-12-3-2-5-18-16(12)14(7-13-4-6-23-9-13)20-15(22)8-21-11-17-10-19-21/h2-6,9-11,14H,7-8H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyRAOZDCWXCGZMDE-CQSZACIVSA-N
MW327.41 g/mol
LogP2.14
Rot. Bonds6

About N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 92562309) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID92562309
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cncn1
InChIInChI=1S/C16H17N5OS/c1-12-3-2-5-18-16(12)14(7-13-4-6-23-9-13)20-15(22)8-21-11-17-10-19-21/h2-6,9-11,14H,7-8H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyRAOZDCWXCGZMDE-CQSZACIVSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

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Related Compounds

2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222226
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92577329
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222235
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
CID 92562333
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
N-[2-phenyl-1-(3-phenyl-2-pyridinyl)ethyl]-2-pyrazol-1-ylacetamide
CID 162471132
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955539
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 92562309) is N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cncn1.
What is the InChIKey of N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is RAOZDCWXCGZMDE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-3-2-5-18-16(12)14(7-13-4-6-23-9-13)20-15(22)8-21-11-17-10-19-21/h2-6,9-11,14H,7-8H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 92562309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).