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

C15H12N4OS — CID 24768279

IUPAC1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H12N4OS/c20-15(17-12-4-2-1-3-5-12)19-13-10-21-14(18-13)11-6-8-16-9-7-11/h1-10H,(H2,17,19,20)
InChIKeyAXDWPTZOIRLDDO-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.85
Rot. Bonds3

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

1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (PubChem CID 24768279) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
PubChem CID24768279
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H12N4OS/c20-15(17-12-4-2-1-3-5-12)19-13-10-21-14(18-13)11-6-8-16-9-7-11/h1-10H,(H2,17,19,20)
InChIKeyAXDWPTZOIRLDDO-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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Related Compounds

Stf-62247
CID 704473
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
Aminothiazole 7
CID 5329389
Aminothiazole 8
CID 5329390
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391
N-(4-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329392
N-(5-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329393
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
6-Methyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996237

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea (CID 24768279) is 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is O=C(Nc1ccccc1)Nc1csc(-c2ccncc2)n1.
What is the InChIKey of 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
The InChIKey is AXDWPTZOIRLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-15(17-12-4-2-1-3-5-12)19-13-10-21-14(18-13)11-6-8-16-9-7-11/h1-10H,(H2,17,19,20).
What are the key properties of 1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea?
1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-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-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 24768279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).