1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C14H17N3O3S — CID 95782891

IUPAC1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1=O
InChIInChI=1S/C14H17N3O3S/c1-14(20,10-5-7-21-8-10)9-15-13(19)16-11-4-3-6-17(2)12(11)18/h3-8,20H,9H2,1-2H3,(H2,15,16,19)/t14-/m0/s1
InChIKeyDZPSLIYBUYVDDY-AWEZNQCLSA-N
MW307.38 g/mol
LogP1.48
Rot. Bonds4

About 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 95782891) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID95782891
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1=O
InChIInChI=1S/C14H17N3O3S/c1-14(20,10-5-7-21-8-10)9-15-13(19)16-11-4-3-6-17(2)12(11)18/h3-8,20H,9H2,1-2H3,(H2,15,16,19)/t14-/m0/s1
InChIKeyDZPSLIYBUYVDDY-AWEZNQCLSA-N
XLogP1.48
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 126773459
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111455536
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
N-(1-methyl-2-oxo-3-pyridinyl)thiophene-3-carboxamide
CID 86768883
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111475357
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 95782891) is 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1=O.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is DZPSLIYBUYVDDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(20,10-5-7-21-8-10)9-15-13(19)16-11-4-3-6-17(2)12(11)18/h3-8,20H,9H2,1-2H3,(H2,15,16,19)/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 307.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 95782891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).