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

C16H14N4OS — CID 53492329

IUPAC1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21)
InChIKeyVOAQKUJLXWZMLR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.53
Rot. Bonds4

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

1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 53492329) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID53492329
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21)
InChIKeyVOAQKUJLXWZMLR-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 203433
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CID 746667
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 53492329) is 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1ccccc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is VOAQKUJLXWZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21).
What are the key properties of 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 310.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 53492329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).