1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea

C15H20N4OS — CID 94027034

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCN(C)[C@@H](CNC(=O)NCc1ccccn1)c1ccsc1
InChIInChI=1S/C15H20N4OS/c1-19(2)14(12-6-8-21-11-12)10-18-15(20)17-9-13-5-3-4-7-16-13/h3-8,11,14H,9-10H2,1-2H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyZWRQCFGEZGVVPG-AWEZNQCLSA-N
MW304.42 g/mol
LogP2.25
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea

1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 94027034) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID94027034
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCN(C)[C@@H](CNC(=O)NCc1ccccn1)c1ccsc1
InChIInChI=1S/C15H20N4OS/c1-19(2)14(12-6-8-21-11-12)10-18-15(20)17-9-13-5-3-4-7-16-13/h3-8,11,14H,9-10H2,1-2H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyZWRQCFGEZGVVPG-AWEZNQCLSA-N
XLogP2.25
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 134061146
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 94202119
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 94021429
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
CID 43060727
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea (CID 94027034) is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea is CN(C)[C@@H](CNC(=O)NCc1ccccn1)c1ccsc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is ZWRQCFGEZGVVPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-19(2)14(12-6-8-21-11-12)10-18-15(20)17-9-13-5-3-4-7-16-13/h3-8,11,14H,9-10H2,1-2H3,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea?
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 94027034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).