N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide

C10H15N3OS — CID 139705075

IUPACN-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC2CNCN2)s1
InChIInChI=1S/C10H15N3OS/c1-7(14)13-10-3-2-9(15-10)4-8-5-11-6-12-8/h2-3,8,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyAWVPXXIBWIVHNU-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.77
Rot. Bonds3

About N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide

N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide (PubChem CID 139705075) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide
PubChem CID139705075
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC2CNCN2)s1
InChIInChI=1S/C10H15N3OS/c1-7(14)13-10-3-2-9(15-10)4-8-5-11-6-12-8/h2-3,8,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyAWVPXXIBWIVHNU-UHFFFAOYSA-N
XLogP0.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3994335
4-[2-(methylamino)-2-oxoethyl]-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
CID 71862272
4-butanoyl-N-(5-methylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 75374869
1-((1-Phenylpyrrolidin-2-yl)methyl)-3-(thiophen-2-yl)urea
CID 72719297
1-[(2S)-1-cyanopropan-2-yl]-3-(5-methylthiophen-2-yl)urea
CID 97839477
1-(1-Ethyl-2-methylpiperidin-4-yl)-3-(5-methylthiophen-2-yl)urea
CID 132282899
1-Cyclohexyl-3-(5-methylthiophen-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 143074877
5-Acetylamino-2-ethylthiophene
CID 12330512
1-(2-Fluoroethyl)-3-(5-methylthiophen-2-yl)urea
CID 130636542
1-(2-(Dimethylamino)-2-(thiophen-2-yl)ethyl)-3-(thiophen-2-yl)urea
CID 45565146
N-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pentanamide
CID 67666901
5-(methylamino)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 70877783

Frequently Asked Questions

What is the IUPAC name of N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide (CID 139705075) is N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide is CC(=O)Nc1ccc(CC2CNCN2)s1.
What is the InChIKey of N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide?
The InChIKey is AWVPXXIBWIVHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)13-10-3-2-9(15-10)4-8-5-11-6-12-8/h2-3,8,11-12H,4-6H2,1H3,(H,13,14).
What are the key properties of N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide?
N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide has a molecular weight of 225.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(imidazolidin-4-ylmethyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 139705075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).