N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide

C10H13N5OS — CID 66385984

IUPACN-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ncn[nH]1
InChIInChI=1S/C10H13N5OS/c1-7(16)14-8-2-3-17-9(8)4-11-5-10-12-6-13-15-10/h2-3,6,11H,4-5H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyFRKMBAGFJZPGQR-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.11
Rot. Bonds5

About N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385984) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66385984
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ncn[nH]1
InChIInChI=1S/C10H13N5OS/c1-7(16)14-8-2-3-17-9(8)4-11-5-10-12-6-13-15-10/h2-3,6,11H,4-5H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyFRKMBAGFJZPGQR-UHFFFAOYSA-N
XLogP1.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977816
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66385180
N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 81169972
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386200
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[(3-methylthiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64518387
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide (CID 66385984) is N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCc1ncn[nH]1.
What is the InChIKey of N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is FRKMBAGFJZPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7(16)14-8-2-3-17-9(8)4-11-5-10-12-6-13-15-10/h2-3,6,11H,4-5H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).