(5-chlorothiophen-3-yl)urea

C5H5ClN2OS — CID 131084036

IUPAC(5-chlorothiophen-3-yl)urea
SMILESNC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C5H5ClN2OS/c6-4-1-3(2-10-4)8-5(7)9/h1-2H,(H3,7,8,9)
InChIKeyMVUNJIGNKCZNMU-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.89
Rot. Bonds1

About (5-chlorothiophen-3-yl)urea

(5-chlorothiophen-3-yl)urea (PubChem CID 131084036) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is (5-chlorothiophen-3-yl)urea.

Molecular Properties

Compound Name(5-chlorothiophen-3-yl)urea
PubChem CID131084036
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name(5-chlorothiophen-3-yl)urea
SMILESNC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C5H5ClN2OS/c6-4-1-3(2-10-4)8-5(7)9/h1-2H,(H3,7,8,9)
InChIKeyMVUNJIGNKCZNMU-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-3-yl)urea?
The IUPAC name of (5-chlorothiophen-3-yl)urea (CID 131084036) is (5-chlorothiophen-3-yl)urea.
What is the SMILES notation for (5-chlorothiophen-3-yl)urea?
The canonical SMILES for (5-chlorothiophen-3-yl)urea is NC(=O)Nc1csc(Cl)c1.
What is the InChIKey of (5-chlorothiophen-3-yl)urea?
The InChIKey is MVUNJIGNKCZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-4-1-3(2-10-4)8-5(7)9/h1-2H,(H3,7,8,9).
What are the key properties of (5-chlorothiophen-3-yl)urea?
(5-chlorothiophen-3-yl)urea has a molecular weight of 176.63 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-3-yl)urea is sourced from PubChem (CID 131084036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).