1-propyl-3-(thiophene-2-carbonylamino)urea

C9H13N3O2S — CID 2727799

IUPAC1-propyl-3-(thiophene-2-carbonylamino)urea
SMILESCCCNC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H13N3O2S/c1-2-5-10-9(14)12-11-8(13)7-4-3-6-15-7/h3-4,6H,2,5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyNXKLNOGCVXHADG-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.10
Rot. Bonds3

About 1-propyl-3-(thiophene-2-carbonylamino)urea

1-propyl-3-(thiophene-2-carbonylamino)urea (PubChem CID 2727799) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-propyl-3-(thiophene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-propyl-3-(thiophene-2-carbonylamino)urea
PubChem CID2727799
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-propyl-3-(thiophene-2-carbonylamino)urea
SMILESCCCNC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H13N3O2S/c1-2-5-10-9(14)12-11-8(13)7-4-3-6-15-7/h3-4,6H,2,5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyNXKLNOGCVXHADG-UHFFFAOYSA-N
XLogP1.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N-(pentylcarbamothioyl)thiophene-2-carboxamide
CID 19187814
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(hexylcarbamothioyl)thiophene-2-carboxamide
CID 19187816

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(thiophene-2-carbonylamino)urea?
The IUPAC name of 1-propyl-3-(thiophene-2-carbonylamino)urea (CID 2727799) is 1-propyl-3-(thiophene-2-carbonylamino)urea.
What is the SMILES notation for 1-propyl-3-(thiophene-2-carbonylamino)urea?
The canonical SMILES for 1-propyl-3-(thiophene-2-carbonylamino)urea is CCCNC(=O)NNC(=O)c1cccs1.
What is the InChIKey of 1-propyl-3-(thiophene-2-carbonylamino)urea?
The InChIKey is NXKLNOGCVXHADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-5-10-9(14)12-11-8(13)7-4-3-6-15-7/h3-4,6H,2,5H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of 1-propyl-3-(thiophene-2-carbonylamino)urea?
1-propyl-3-(thiophene-2-carbonylamino)urea has a molecular weight of 227.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(thiophene-2-carbonylamino)urea is sourced from PubChem (CID 2727799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).