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

C13H15N5O2S — CID 112522139

IUPACN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)NCc1cccs1
InChIInChI=1S/C13H15N5O2S/c19-12(14-6-10-2-1-5-21-10)8-18-7-11(16-17-18)15-13(20)9-3-4-9/h1-2,5,7,9H,3-4,6,8H2,(H,14,19)(H,15,20)
InChIKeyKQEYQYQAUIZCRH-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.00
Rot. Bonds6

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

N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112522139) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112522139
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)NCc1cccs1
InChIInChI=1S/C13H15N5O2S/c19-12(14-6-10-2-1-5-21-10)8-18-7-11(16-17-18)15-13(20)9-3-4-9/h1-2,5,7,9H,3-4,6,8H2,(H,14,19)(H,15,20)
InChIKeyKQEYQYQAUIZCRH-UHFFFAOYSA-N
XLogP1.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
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]propanamide
CID 112522137
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288328
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3231966

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112522139) is N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide is O=C(Cn1cc(NC(=O)C2CC2)nn1)NCc1cccs1.
What is the InChIKey of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is KQEYQYQAUIZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-12(14-6-10-2-1-5-21-10)8-18-7-11(16-17-18)15-13(20)9-3-4-9/h1-2,5,7,9H,3-4,6,8H2,(H,14,19)(H,15,20).
What are the key properties of N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 305.36 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]cyclopropanecarboxamide is sourced from PubChem (CID 112522139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).