1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C17H21N3O2S — CID 95277861

IUPAC1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCc1csc(C)n1
InChIInChI=1S/C17H21N3O2S/c1-11-19-12(10-23-11)7-8-18-17(21)20-15-9-14(15)13-5-3-4-6-16(13)22-2/h3-6,10,14-15H,7-9H2,1-2H3,(H2,18,20,21)/t14-,15+/m0/s1
InChIKeyNVTARPCAIVSEQN-LSDHHAIUSA-N
MW331.44 g/mol
LogP2.86
Rot. Bonds6

About 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 95277861) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID95277861
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCc1csc(C)n1
InChIInChI=1S/C17H21N3O2S/c1-11-19-12(10-23-11)7-8-18-17(21)20-15-9-14(15)13-5-3-4-6-16(13)22-2/h3-6,10,14-15H,7-9H2,1-2H3,(H2,18,20,21)/t14-,15+/m0/s1
InChIKeyNVTARPCAIVSEQN-LSDHHAIUSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-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

1-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277862
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 124734117
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339677
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 78882590
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 95333729
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 95277861) is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCc1csc(C)n1.
What is the InChIKey of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is NVTARPCAIVSEQN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-19-12(10-23-11)7-8-18-17(21)20-15-9-14(15)13-5-3-4-6-16(13)22-2/h3-6,10,14-15H,7-9H2,1-2H3,(H2,18,20,21)/t14-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 331.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 95277861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).