1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C14H17N3O2S — CID 47239173

IUPAC1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)7-15-14(19)16-8-13(18)11-5-3-2-4-6-11/h2-6,9,13,18H,7-8H2,1H3,(H2,15,16,19)
InChIKeyRYUKWMBDLWIQFP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 47239173) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID47239173
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)7-15-14(19)16-8-13(18)11-5-3-2-4-6-11/h2-6,9,13,18H,7-8H2,1H3,(H2,15,16,19)
InChIKeyRYUKWMBDLWIQFP-UHFFFAOYSA-N
XLogP1.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 47239173) is 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NCC(O)c2ccccc2)cs1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is RYUKWMBDLWIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)7-15-14(19)16-8-13(18)11-5-3-2-4-6-11/h2-6,9,13,18H,7-8H2,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 47239173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).