1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea

C13H17N5OS — CID 51083635

IUPAC1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCNc1cnccn1)c1cccs1
InChIInChI=1S/C13H17N5OS/c1-10(11-3-2-8-20-11)18-13(19)17-7-6-16-12-9-14-4-5-15-12/h2-5,8-10H,6-7H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyARYXQLTXTWIKGG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea

1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea (PubChem CID 51083635) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea
PubChem CID51083635
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCNc1cnccn1)c1cccs1
InChIInChI=1S/C13H17N5OS/c1-10(11-3-2-8-20-11)18-13(19)17-7-6-16-12-9-14-4-5-15-12/h2-5,8-10H,6-7H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyARYXQLTXTWIKGG-UHFFFAOYSA-N
XLogP2.01
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 3699358
N-2-pyrazinyl-2-thiophenecarboxamide
CID 1245526
1-(3,6-Dimethyl-pyrazin-2-yl)-piperidine-4-carboxylic acid (1-thiophen-2-yl-ethyl)-amide
CID 646756
1-[2-(Pyridin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 45825574
1-[[2-(Dimethylamino)-3-pyridinyl]methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 45826520
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
1-[6-(Dimethylamino)-3-pyridinyl]-3-(thiophen-2-ylmethyl)urea
CID 45865245
1-(1-Imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220679
3-[6-(Dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 47221310
1-[[2-(Dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea (CID 51083635) is 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)NCCNc1cnccn1)c1cccs1.
What is the InChIKey of 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is ARYXQLTXTWIKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10(11-3-2-8-20-11)18-13(19)17-7-6-16-12-9-14-4-5-15-12/h2-5,8-10H,6-7H2,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea?
1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 291.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazin-2-ylamino)ethyl]-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 51083635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).