1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea

C15H12N4OS — CID 10590030

IUPAC1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H12N4OS/c20-14(17-11-6-2-1-3-7-11)19-15-18-13(10-21-15)12-8-4-5-9-16-12/h1-10H,(H2,17,18,19,20)
InChIKeySDGJJDKFCDDMKK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.85
Rot. Bonds3

About 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea

1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 10590030) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
PubChem CID10590030
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H12N4OS/c20-14(17-11-6-2-1-3-7-11)19-15-18-13(10-21-15)12-8-4-5-9-16-12/h1-10H,(H2,17,18,19,20)
InChIKeySDGJJDKFCDDMKK-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (CID 10590030) is 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is SDGJJDKFCDDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(17-11-6-2-1-3-7-11)19-15-18-13(10-21-15)12-8-4-5-9-16-12/h1-10H,(H2,17,18,19,20).
What are the key properties of 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 296.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 10590030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).