N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide

C12H15N5O2S — CID 112522137

IUPACN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2cccs2)nn1
InChIInChI=1S/C12H15N5O2S/c1-2-11(18)14-10-7-17(16-15-10)8-12(19)13-6-9-4-3-5-20-9/h3-5,7H,2,6,8H2,1H3,(H,13,19)(H,14,18)
InChIKeyONVUJNSAAHCRNP-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.00
Rot. Bonds6

About N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide

N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide (PubChem CID 112522137) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
PubChem CID112522137
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCc2cccs2)nn1
InChIInChI=1S/C12H15N5O2S/c1-2-11(18)14-10-7-17(16-15-10)8-12(19)13-6-9-4-3-5-20-9/h3-5,7H,2,6,8H2,1H3,(H,13,19)(H,14,18)
InChIKeyONVUJNSAAHCRNP-UHFFFAOYSA-N
XLogP1.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288328
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72855915
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 42139030
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide (CID 112522137) is N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)NCc2cccs2)nn1.
What is the InChIKey of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide?
The InChIKey is ONVUJNSAAHCRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-11(18)14-10-7-17(16-15-10)8-12(19)13-6-9-4-3-5-20-9/h3-5,7H,2,6,8H2,1H3,(H,13,19)(H,14,18).
What are the key properties of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide?
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112522137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).