1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

C15H15N5OS — CID 95904281

IUPAC1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nccs1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H15N5OS/c1-11(18-14(21)19-15-16-7-9-22-15)12-4-2-5-13(10-12)20-8-3-6-17-20/h2-11H,1H3,(H2,16,18,19,21)/t11-/m1/s1
InChIKeyFPKHNRQHCVRFEU-LLVKDONJSA-N
MW313.39 g/mol
LogP3.21
Rot. Bonds4

About 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 95904281) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID95904281
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nccs1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C15H15N5OS/c1-11(18-14(21)19-15-16-7-9-22-15)12-4-2-5-13(10-12)20-8-3-6-17-20/h2-11H,1H3,(H2,16,18,19,21)/t11-/m1/s1
InChIKeyFPKHNRQHCVRFEU-LLVKDONJSA-N
XLogP3.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (CID 95904281) is 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is C[C@@H](NC(=O)Nc1nccs1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is FPKHNRQHCVRFEU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-11(18-14(21)19-15-16-7-9-22-15)12-4-2-5-13(10-12)20-8-3-6-17-20/h2-11H,1H3,(H2,16,18,19,21)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 313.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 95904281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).