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

C17H16N4O2S — CID 87405570

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccncc2)cs1)NC(CO)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23)
InChIKeyOQORIVHBMBWOAH-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.06
Rot. Bonds5

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

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87405570) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87405570
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccncc2)cs1)NC(CO)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23)
InChIKeyOQORIVHBMBWOAH-UHFFFAOYSA-N
XLogP3.06
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87405570) is 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(-c2ccncc2)cs1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is OQORIVHBMBWOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 340.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87405570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).