1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea

C7H9ClN2OS — CID 23548650

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-9-7(11)10-4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,10,11)
InChIKeyAWKNWYFXWFCFCE-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.83
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea

1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea (PubChem CID 23548650) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea
PubChem CID23548650
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-9-7(11)10-4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,10,11)
InChIKeyAWKNWYFXWFCFCE-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea (CID 23548650) is 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea is CNC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea?
The InChIKey is AWKNWYFXWFCFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-9-7(11)10-4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,10,11).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea?
1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea has a molecular weight of 204.68 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-methylurea is sourced from PubChem (CID 23548650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).