1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C16H21N3O2S — CID 109399204

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H21N3O2S/c1-12-10-17-7-5-13(12)6-8-18-15(20)19-11-16(2,21)14-4-3-9-22-14/h3-5,7,9-10,21H,6,8,11H2,1-2H3,(H2,18,19,20)
InChIKeyRDLMBKIRYYHYTQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 109399204) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID109399204
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C16H21N3O2S/c1-12-10-17-7-5-13(12)6-8-18-15(20)19-11-16(2,21)14-4-3-9-22-14/h3-5,7,9-10,21H,6,8,11H2,1-2H3,(H2,18,19,20)
InChIKeyRDLMBKIRYYHYTQ-UHFFFAOYSA-N
XLogP2.20
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97308686
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 97317712
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 109403776
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 111443995
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 109399204) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is RDLMBKIRYYHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-10-17-7-5-13(12)6-8-18-15(20)19-11-16(2,21)14-4-3-9-22-14/h3-5,7,9-10,21H,6,8,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 109399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).