1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C15H20N4OS — CID 51082981

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C15H20N4OS/c1-11-5-7-21-13(11)10-18-15(20)17-9-12-4-6-16-14(8-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySPNUFBXBZKSUEK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds5

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 51082981) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID51082981
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C15H20N4OS/c1-11-5-7-21-13(11)10-18-15(20)17-9-12-4-6-16-14(8-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeySPNUFBXBZKSUEK-UHFFFAOYSA-N
XLogP2.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]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-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47043891
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97022306
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97022307
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75456076
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95132243
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479464
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 51082981) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CNC(=O)NCc1ccnc(N(C)C)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is SPNUFBXBZKSUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-5-7-21-13(11)10-18-15(20)17-9-12-4-6-16-14(8-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 51082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).