1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

C17H23N3O2S — CID 111334655

IUPAC1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCc1nc(C(C)NC(=O)NCC(C)(O)c2ccccc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-4-15-20-14(10-23-15)12(2)19-16(21)18-11-17(3,22)13-8-6-5-7-9-13/h5-10,12,22H,4,11H2,1-3H3,(H2,18,19,21)
InChIKeyZMBGASOQJGKNPJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.97
Rot. Bonds6

About 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111334655) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111334655
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCc1nc(C(C)NC(=O)NCC(C)(O)c2ccccc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-4-15-20-14(10-23-15)12(2)19-16(21)18-11-17(3,22)13-8-6-5-7-9-13/h5-10,12,22H,4,11H2,1-3H3,(H2,18,19,21)
InChIKeyZMBGASOQJGKNPJ-UHFFFAOYSA-N
XLogP2.97
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618866
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455461
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71991778
1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335690
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 56787628
1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 99117209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111334655) is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is CCc1nc(C(C)NC(=O)NCC(C)(O)c2ccccc2)cs1.
What is the InChIKey of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is ZMBGASOQJGKNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-15-20-14(10-23-15)12(2)19-16(21)18-11-17(3,22)13-8-6-5-7-9-13/h5-10,12,22H,4,11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 333.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111334655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).