2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide

C10H14N4O2S — CID 65249970

IUPAC2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CC(N)C1
InChIInChI=1S/C10H14N4O2S/c11-6-3-14(4-6)5-8(15)13-10-7(9(12)16)1-2-17-10/h1-2,6H,3-5,11H2,(H2,12,16)(H,13,15)
InChIKeyXWZAPLHPOMPYHC-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.57
Rot. Bonds4

About 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 65249970) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID65249970
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CC(N)C1
InChIInChI=1S/C10H14N4O2S/c11-6-3-14(4-6)5-8(15)13-10-7(9(12)16)1-2-17-10/h1-2,6H,3-5,11H2,(H2,12,16)(H,13,15)
InChIKeyXWZAPLHPOMPYHC-UHFFFAOYSA-N
XLogP-0.57
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 115647989
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 36875697
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide (CID 65249970) is 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CC(N)C1.
What is the InChIKey of 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XWZAPLHPOMPYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-6-3-14(4-6)5-8(15)13-10-7(9(12)16)1-2-17-10/h1-2,6H,3-5,11H2,(H2,12,16)(H,13,15).
What are the key properties of 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 65249970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).