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

C10H15ClN2OS — CID 115584114

IUPAC3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)12-7-8-5-6-9(11)15-8/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyIYTODNGAEOZVHK-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.95
Rot. Bonds4

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

3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea (PubChem CID 115584114) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
PubChem CID115584114
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)12-7-8-5-6-9(11)15-8/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyIYTODNGAEOZVHK-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 60580699
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 111544047
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea (CID 115584114) is 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea is CCN(CC)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea?
The InChIKey is IYTODNGAEOZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)12-7-8-5-6-9(11)15-8/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea?
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea has a molecular weight of 246.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea is sourced from PubChem (CID 115584114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).