1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea

C12H13N3OS — CID 47125825

IUPAC1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NCc1cccs1
InChIInChI=1S/C12H13N3OS/c16-12(15-9-11-5-3-7-17-11)14-8-10-4-1-2-6-13-10/h1-7H,8-9H2,(H2,14,15,16)
InChIKeyCPVVEWIQGRTXKZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.14
Rot. Bonds4

About 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea

1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47125825) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47125825
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NCc1cccs1
InChIInChI=1S/C12H13N3OS/c16-12(15-9-11-5-3-7-17-11)14-8-10-4-1-2-6-13-10/h1-7H,8-9H2,(H2,14,15,16)
InChIKeyCPVVEWIQGRTXKZ-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110296640
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-methyl-1-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111191177
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea (CID 47125825) is 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1ccccn1)NCc1cccs1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is CPVVEWIQGRTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(15-9-11-5-3-7-17-11)14-8-10-4-1-2-6-13-10/h1-7H,8-9H2,(H2,14,15,16).
What are the key properties of 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 247.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47125825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).