1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C18H18N4O2S — CID 87406217

IUPAC1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCOC[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-24-11-15(13-5-3-2-4-6-13)20-17(23)22-18-21-16(12-25-18)14-7-9-19-10-8-14/h2-10,12,15H,11H2,1H3,(H2,20,21,22,23)/t15-/m0/s1
InChIKeyOTQBWQLVWMNWBE-HNNXBMFYSA-N
MW354.44 g/mol
LogP3.71
Rot. Bonds6

About 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87406217) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87406217
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCOC[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-24-11-15(13-5-3-2-4-6-13)20-17(23)22-18-21-16(12-25-18)14-7-9-19-10-8-14/h2-10,12,15H,11H2,1H3,(H2,20,21,22,23)/t15-/m0/s1
InChIKeyOTQBWQLVWMNWBE-HNNXBMFYSA-N
XLogP3.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)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

Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
CID 49846369
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
Phenethyl-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972709
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458
1-(2-Methoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49846136
1-[2-(Cyclopropylmethoxy)ethyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49846289
1-[4-Methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-(2-propoxyethyl)urea
CID 49846291

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87406217) is 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is COC[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is OTQBWQLVWMNWBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-11-15(13-5-3-2-4-6-13)20-17(23)22-18-21-16(12-25-18)14-7-9-19-10-8-14/h2-10,12,15H,11H2,1H3,(H2,20,21,22,23)/t15-/m0/s1.
What are the key properties of 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 354.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methoxy-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87406217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).