[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea

C10H10N4O2S — CID 90697629

IUPAC[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(COc2ccncc2)s1
InChIInChI=1S/C10H10N4O2S/c11-9(15)14-10-13-5-8(17-10)6-16-7-1-3-12-4-2-7/h1-5H,6H2,(H3,11,13,14,15)
InChIKeyBQPKAJKTMWBAID-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.61
Rot. Bonds4

About [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea

[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea (PubChem CID 90697629) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea
PubChem CID90697629
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(COc2ccncc2)s1
InChIInChI=1S/C10H10N4O2S/c11-9(15)14-10-13-5-8(17-10)6-16-7-1-3-12-4-2-7/h1-5H,6H2,(H3,11,13,14,15)
InChIKeyBQPKAJKTMWBAID-UHFFFAOYSA-N
XLogP1.61
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea (CID 90697629) is [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea is NC(=O)Nc1ncc(COc2ccncc2)s1.
What is the InChIKey of [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is BQPKAJKTMWBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-9(15)14-10-13-5-8(17-10)6-16-7-1-3-12-4-2-7/h1-5H,6H2,(H3,11,13,14,15).
What are the key properties of [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea?
[5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 250.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-yloxymethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 90697629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).