1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea

C7H9ClN2OS — CID 141010389

IUPAC1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cscc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-9-7(11)10-2-5-3-12-4-6(5)8/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKeyYTMQQNSQZWINGA-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.83
Rot. Bonds2

About 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea

1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea (PubChem CID 141010389) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea
PubChem CID141010389
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cscc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-9-7(11)10-2-5-3-12-4-6(5)8/h3-4H,2H2,1H3,(H2,9,10,11)
InChIKeyYTMQQNSQZWINGA-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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Related Compounds

1-[(4-Methylthiophen-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 116656816
1-Methyl-3-(thiophen-3-ylmethyl)urea
CID 57637129
1-(4-chlorothiophen-3-yl)-N-methylmethanamine
CID 131105927
1-[(4-Chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
CID 141010373
1-[(4-Chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
CID 141010392
1-[(4-Chlorothiophen-3-yl)methyl]-1-ethyl-3-methylurea
CID 141010408
1-[(4-Chlorothiophen-3-yl)methyl]-3-ethyl-1-methylurea
CID 141010433
1-(2-Chloroethyl)-1-[(4-chlorothiophen-3-yl)methyl]urea
CID 141054218
(4-Methylthiophen-3-yl)methylurea
CID 80249689
1-[(4-Methylthiophen-3-yl)methyl]-3-propylurea
CID 116656800
1-[(4-Methylthiophen-3-yl)methyl]-3-propan-2-ylurea
CID 116656801
1,1-Diethyl-3-[(4-methylthiophen-3-yl)methyl]urea
CID 116656804

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea (CID 141010389) is 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea is CNC(=O)NCc1cscc1Cl.
What is the InChIKey of 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea?
The InChIKey is YTMQQNSQZWINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-9-7(11)10-2-5-3-12-4-6(5)8/h3-4H,2H2,1H3,(H2,9,10,11).
What are the key properties of 1-[(4-chlorothiophen-3-yl)methyl]-3-methylurea?
1-[(4-chlorothiophen-3-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-[(4-chlorothiophen-3-yl)methyl]-3-methylurea is sourced from PubChem (CID 141010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).