1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea

C14H16ClN3OS — CID 47125820

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1
InChIInChI=1S/C14H16ClN3OS/c1-2-18(10-12-5-6-13(15)20-12)14(19)17-9-11-4-3-7-16-8-11/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyFFOOPMMMXHYZAX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.53
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea (PubChem CID 47125820) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
PubChem CID47125820
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1
InChIInChI=1S/C14H16ClN3OS/c1-2-18(10-12-5-6-13(15)20-12)14(19)17-9-11-4-3-7-16-8-11/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyFFOOPMMMXHYZAX-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 60580699
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(furan-2-ylmethyl)urea
CID 47125656
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
CID 134046686
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
2-[3-[2-[[ethyl(pyridin-3-ylmethylcarbamoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149157
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea (CID 47125820) is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea is CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is FFOOPMMMXHYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-18(10-12-5-6-13(15)20-12)14(19)17-9-11-4-3-7-16-8-11/h3-8H,2,9-10H2,1H3,(H,17,19).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea?
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 309.82 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47125820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).