[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea

C7H8ClN3OS — CID 5354251

IUPAC[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClN3OS/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4-
InChIKeyQRVWNCQEOQVZGE-WMZJFQQLSA-N
MW217.68 g/mol
LogP1.79
Rot. Bonds2

About [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea

[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea (PubChem CID 5354251) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
PubChem CID5354251
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClN3OS/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4-
InChIKeyQRVWNCQEOQVZGE-WMZJFQQLSA-N
XLogP1.79
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea
CID 6611564
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6385587
N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19658584
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510
2-N,5-N-bis[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
CID 44514810
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea (CID 5354251) is [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea is C/C(=N/NC(N)=O)c1ccc(Cl)s1.
What is the InChIKey of [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea?
The InChIKey is QRVWNCQEOQVZGE-WMZJFQQLSA-N. The full InChI is InChI=1S/C7H8ClN3OS/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4-.
What are the key properties of [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea?
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea has a molecular weight of 217.68 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea is sourced from PubChem (CID 5354251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).