N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide

C15H19N5O2S — CID 166308307

IUPACN-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CC(Cn2ccnn2)C1
InChIInChI=1S/C15H19N5O2S/c1-10(17-15(22)13-3-2-6-23-13)14(21)18-12-7-11(8-12)9-20-5-4-16-19-20/h2-6,10-12H,7-9H2,1H3,(H,17,22)(H,18,21)
InChIKeyYFSWDBOUZDCZOG-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.05
Rot. Bonds6

About N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 166308307) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide
PubChem CID166308307
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CC(Cn2ccnn2)C1
InChIInChI=1S/C15H19N5O2S/c1-10(17-15(22)13-3-2-6-23-13)14(21)18-12-7-11(8-12)9-20-5-4-16-19-20/h2-6,10-12H,7-9H2,1H3,(H,17,22)(H,18,21)
InChIKeyYFSWDBOUZDCZOG-UHFFFAOYSA-N
XLogP1.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

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N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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CID 51092774
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N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide (CID 166308307) is N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC1CC(Cn2ccnn2)C1.
What is the InChIKey of N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is YFSWDBOUZDCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10(17-15(22)13-3-2-6-23-13)14(21)18-12-7-11(8-12)9-20-5-4-16-19-20/h2-6,10-12H,7-9H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[3-(triazol-1-ylmethyl)cyclobutyl]amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 166308307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).