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

C18H18N4O2S — CID 110350705

IUPAC1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESO=C(NCCc1csc(COc2cccnc2)n1)Nc1ccccc1
InChIInChI=1S/C18H18N4O2S/c23-18(22-14-5-2-1-3-6-14)20-10-8-15-13-25-17(21-15)12-24-16-7-4-9-19-11-16/h1-7,9,11,13H,8,10,12H2,(H2,20,22,23)
InChIKeyAKSLRMWETCSFTF-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.48
Rot. Bonds7

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

1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 110350705) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID110350705
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESO=C(NCCc1csc(COc2cccnc2)n1)Nc1ccccc1
InChIInChI=1S/C18H18N4O2S/c23-18(22-14-5-2-1-3-6-14)20-10-8-15-13-25-17(21-15)12-24-16-7-4-9-19-11-16/h1-7,9,11,13H,8,10,12H2,(H2,20,22,23)
InChIKeyAKSLRMWETCSFTF-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342123
N-[2-(3-chlorophenyl)ethyl]-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342111
N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide
CID 110350649
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342067
1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
CID 59225705
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110342050
N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea (CID 110350705) is 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea is O=C(NCCc1csc(COc2cccnc2)n1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is AKSLRMWETCSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(22-14-5-2-1-3-6-14)20-10-8-15-13-25-17(21-15)12-24-16-7-4-9-19-11-16/h1-7,9,11,13H,8,10,12H2,(H2,20,22,23).
What are the key properties of 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea?
1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 354.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 110350705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).